SCHEMBL76018

SCHEMBL76018

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

nearest known ligand 0.45

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 8)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.43
CA2 known ✓ P00918 1/20 0.40
CA4 known ✓ P22748 1/20 0.39
CES2 O00748 4/20 0.44
GPR84 Q9NQS5 1/20 0.41
CES1 P23141 3/20 0.40
FABP3 P05413 2/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL9893310 1.00 CES2 (0.44) CES2CA1GPR84CES1CA2
SCHEMBL7890037 1.00 CES2 (0.44) CES2CA1GPR84CES1CA2
SCHEMBL4879952 1.00 CES2 (0.44) CES2CA1GPR84CES1CA2
SCHEMBL10639504 1.00 CES2 (0.44) CES2CA1GPR84CES1CA2
SCHEMBL29052286 0.98 CA1 (0.45) CES2CA1GPR84CES1CA2
SCHEMBL7203595 0.98 CES2 (0.46) CES2CA1CES1FABP3EPHX1
SCHEMBL7157352 0.93 CES2 (0.42) CES2CA1GPR84CES1CA2
SCHEMBL629311 0.91 FABP3 (0.51) CES2CA1CES1FABP3
SCHEMBL7527790 0.89 CA1 (0.41) CES2CA1GPR84CA2
SCHEMBL11781930 0.88 CES2 (0.46) CES2CA1CES1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118342159-A Formic acid high-lead solder paste and application thereof 深圳市晨日科技股份有限公司 2024-07-16 CN claimed
CN-118165606-B Preparation method of polylactic acid type full-degradable water-based gloss oil 上海高邦印刷材料有限公司 2024-07-05 CN claimed
WO-2024139502-A1 HIGH-WHITENESS AND LOW-IMPURITY-CONTENT POLYARYLETHER AND PREPARATION METHOD THEREFOR 四川大学 2024-07-04 WO claimed
CN-115806861-B Long-acting wall-hanging foam cleaning agent and preparation method thereof 成都科宏达化学有限责任公司 2024-07-02 CN claimed
CN-118216514-A Sugarcane field compound weeding composition containing topramezone and trifloxysulfuron 广西大学 2024-06-21 CN claimed
CN-118184303-A Antibacterial and mildew-proof ceramic tile and preparation method thereof 河北汇泽瓷业有限公司 2024-06-14 CN claimed
CN-118162799-A Lead-free formic acid solder paste and application thereof 深圳市晨日科技股份有限公司 2024-06-11 CN claimed
CN-118165606-A Preparation method of polylactic acid type full-degradable water-based gloss oil 上海高邦印刷材料有限公司 2024-06-11 CN claimed
CN-118086480-A Nucleic acid sequencing method 深圳华大智造科技有限公司 2024-05-28 CN claimed
CN-115715543-B Compound agricultural sterilization composition, preparation and application thereof 中农立华生物科技股份有限公司 2024-04-09 CN claimed
EP-1020124-A2 Process for preserving fresh produce and coating composition therefor PLANET POLYMER TECHNOLOGIES INC. (US) 2000-07-19 EP claimed
US-5478574-A Sustained release EDWARD MENDELL CO., INC. (US) 1995-12-26 US claimed
EP-0610039-A1 Polymerization process for making porous polymeric particles ROHM AND HAAS COMPANY (US) 1994-08-10 EP claimed
US-5328936-A Addition polymerization of monomers in suspension with phase extenders ROHM AND HAAS COMPANY (US) 1994-07-12 US claimed
EP-0581676-A2 Agglomerated hydrophilic complexes with multi-phasic release characteristics EDWARD MENDELL CO., INC. (US) 1994-02-02 EP claimed
WO-1990008165-A1 POLYMERIC AQUEOUS COMPOSITION FOR PROTECTIVE COATINGS GROGAN GEORGE WILBUR (US) 1990-07-26 WO claimed
US-4925722-A POLYESTER, RAYON BLEND INTERNATIONAL PAPER COMPANY (US) 1990-05-15 US claimed
EP-0351949-A2 Disposable semi-durable nonwoven fabric and related method of manufacture INTERNATIONAL PAPER COMPANY (US) 1990-01-24 EP claimed
EP-0076443-B1 PROCESS FOR THE PREPARATION OF AN AQUEOUS EMULSION COATING FROM THICK CELLULOSIC PASTE Wolff Walsrode Aktiengesellschaft (DE) 1986-12-03 EP claimed
EP-0076443-A2 Process for the preparation of an aqueous emulsion coating from thick cellulosic paste Wolff Walsrode Aktiengesellschaft (DE) 1983-04-13 EP claimed