SCHEMBL8890508

SCHEMBL8890508

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

nearest known ligand 0.52

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 12)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.35
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SLC13A5 Q86YT5 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.95 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
SCHEMBL149815 0.93 ALDH1A1 (0.48) ALDH1A1CA4KDM4ELMNAMAPT
Water SCHEMBL28741257 0.92 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
Water SCHEMBL7558083 0.92 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
Potassium Ion SCHEMBL12980475 0.92 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
SCHEMBL27748681 0.92 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
Potassium Ion SCHEMBL1389321 0.90 ALDH1A1 (0.48) ALDH1A1CA4KDM4ELMNAMAPT
Potassium Chloride SCHEMBL27337973 0.89 ALDH1A1 (0.44) ALDH1A1CA4KDM4ELMNAMAPT
Water SCHEMBL17843652 0.89 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
SCHEMBL4617845 0.87 ALDH1A1 (0.48) 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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106413739-B NBP158 and uses thereof 张文涛 2019-09-17 CN disclosed
CN-110114074-A For treating or preventing the coagulation factor substitute products of bleeding 德国杰特贝林生物制品有限公司 2019-08-09 CN disclosed
CN-109789205-A Anti- PD-1(CD279) antibody 艾伯维生物制药股份有限公司 2019-05-21 CN disclosed
CN-109562189-A anti-cMet antibody drug conjugates and methods of use thereof 艾伯维生物制药股份有限公司 2019-04-02 CN disclosed
CN-109476750-A anti-CD 40 antibodies and uses thereof 艾伯维生物制药股份有限公司 2019-03-15 CN disclosed
CN-109310738-A Composition and method for treating cancer 克罗米科股份有限公司 2019-02-05 CN disclosed
CN-107849142-A Antagonistic anti-tumor necrosis factor receptor superfamily antibodies 综合医院公司 2018-03-27 CN disclosed
CN-106659770-A Pharmaceutical compositions 葛兰素史密斯克莱有限责任公司 2017-05-10 CN disclosed
CN-106456809-A Antibodies targeting b-cell receptor complex membrane bound igm and uses thereof 韦尔特生物分子医药有限责任公司 2017-02-22 CN disclosed
CN-106413739-A NBP158 and uses thereof 张文涛 2017-02-15 CN disclosed
CN-1147589-C Method for detecting flu A-type and B-type in clinic sample �����������ҽѧ�о������ 2004-04-28 CN disclosed
CN-1433324-A Interferon gamma conjugates MAXYGEN APS (US) 2003-07-30 CN disclosed
CN-1404401-A G-CSF conjugates MAXYGEN APS (US) 2003-03-19 CN disclosed
CN-1400910-A Coagulation factor VII or VIIa-like molecules MAXYGEN A P S (DK) 2003-03-05 CN disclosed
CN-1091447-C 4, 7-dialkoxy N-acetylneuraminic acid derivatives and methods for their use in clinical samples for the detection of influenza type A and B viruses OKLAHOMA MEDICAL RESAERCH FOUN (US) 2002-09-25 CN disclosed
CN-1324954-A Method for detecting flu A-type and B-type in clinic sample OKLAHOMA STATE MEDICAL RES FOU (US) 2001-12-05 CN disclosed
CN-1300221-A Treatment of cardiao hypertrophy GENENTECH INC (US) 2001-06-20 CN disclosed
CN-1245434-A Stable liquid interferon formulations BIOGEN INC (US) 2000-02-23 CN disclosed
CN-1205011-A 4, 7-dialkoxy N-acetylneuraminic acid derivatives and methods for their use in clinical samples for the detection of influenza type A and B viruses OKLAHOMA MED RES FOUND (US) 1999-01-13 CN disclosed
US-5653917-A Rust-removing alkali metal hydrogen citrate composition SINGERMAN GARY M (US) 1997-08-05 US disclosed