SCHEMBL149815

SCHEMBL149815

O=C([O-])CC(CC(=O)[O-])(OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.41
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1938661 0.98 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
SCHEMBL27748681 0.98 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
Water SCHEMBL7558083 0.98 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
Water SCHEMBL28741257 0.98 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
Potassium Ion SCHEMBL1389321 0.97 ALDH1A1 (0.48) ALDH1A1CA4KDM4ELMNAMAPT
Potassium Chloride SCHEMBL27337973 0.95 ALDH1A1 (0.44) ALDH1A1CA4KDM4ELMNAMAPT
Water SCHEMBL17843652 0.95 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
Potassium Ion SCHEMBL12980475 0.95 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
SCHEMBL8890508 0.93 ALDH1A1 (0.52) ALDH1A1CA4KDM4ELMNAMAPT
Citric Acid SCHEMBL19585410 0.92 CA4 (0.46) ALDH1A1CA4KDM4ELMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1649 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114246953-B Anti-cMet antibody drug conjugates and methods of use thereof 艾伯维生物制药股份有限公司 2024-07-09 CN claimed
CN-116008570-A Composite calcium agent and preparation method and application thereof 张建宁 2023-04-25 CN claimed
US-20210171573-A1 IMPROVED PROTEIN RECOVERY BRISTOL-MYERS SQUIBB COMPANY 2021-06-10 US claimed
CN-112566920-A Improved protein recovery 百时美施贵宝公司 2021-03-26 CN claimed
CN-110499639-A A kind of antibacterial-high imbibition method for sorting of the sustained release of degreasing cotton gauze WU LIGAO 2019-11-26 CN claimed
CN-110041412-A Bacillus coagulans bacteriocinogeny TK1, preparation method and application 华中农业大学 2019-07-23 CN claimed
CN-109856124-A A kind of hydrogen peroxide detection drying chemical reagent paper and preparation method thereof 迪瑞医疗科技股份有限公司 2019-06-07 CN claimed
US-20190049473-A1 METHODS AND COMPOSITIONS FOR USING SOLVATOCHROMIC DYES TO DETECT THE PRESENCE OF HOMEOPATHIC POTENCIES STANDARD HOMEOPATHIC COMPANY (US) 2019-02-14 US claimed
WO-2017147616-A1 METHODS AND COMPOSITIONS FOR USING SOLVATOCHROMIC DYES TO DETECT THE PRESENCE OF HOMEOPATHIC POTENCIES STANDARD HOMEOPATHIC COMPANY (US) 2017-08-31 WO claimed
CN-103364468-B Urase electrode method detects the reagent of urea nitrogen NINGBO MEDICALSYSTEM CLINICAL LABORATORIES CO., LTD. (CN) 2015-08-12 CN claimed
US-20100105069-A1 METHOD FOR DETECTING HUMAN PARVOVIRUS ANTIGEN BIOTRIN INTELLECTUAL PROPERTIES LIMITED (IE) 2010-04-29 US claimed
EP-2095126-B1 A METHOD FOR DETECTING HUMAN PARVOVIRUS ANTIGEN BIOTRIN INTELLECTUAL PTY LTD (IE) 2010-03-17 EP claimed
EP-2095126-A1 A METHOD FOR DETECTING HUMAN PARVOVIRUS ANTIGEN Biotrin Intellectual Properties Limited (IE) 2009-09-02 EP claimed
WO-2008072216-A1 A METHOD FOR DETECTING HUMAN PARVOVIRUS ANTIGEN BIOTRIN INTELLECTUAL PROPERTIES LIMITED (IE) 2008-06-19 WO claimed
CN-1712563-A Fast chemical plating liquid of rare-earth-nickel-molybdenum-phosphorus alloy at low-temperature GUILIN POLYTECHNIC COLLEGE (CN) 2005-12-28 CN claimed
CN-1712564-A Electroplating liquid of rare-earth-nickel-molybdenum-phosphorus-tungsten carbide alloy GUILIN POLYTECHNIC COLLEGE (CN) 2005-12-28 CN claimed
US-6673761-B2 CLEANING COMPOUNDS USED INDEPENDENTLY OR WITH ABSORBER MATERIALS, COMPRISING ANTISEPTIC MIXTURES OF SURFACTANTS, SOLVENTS, WATER, AMMONIUM COMPOUNDS, CITRIC ACID SALTS AND DETERGENTS THE CLOROX COMPANY 2004-01-06 US claimed
EP-1228089-A2 SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER Merck & Co., Inc. (US) 2002-08-07 EP claimed
US-6355611-B1 SODIUM SALT OF PROSTATE SPECIFIC ANTIGEN CONJUGATE COMPOUND; USEFUL IN TREATMENT OF PROSTATE CANCER AND BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-12 US claimed
WO-2001030804-A2 SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-05-03 WO claimed