SCHEMBL9893310

SCHEMBL9893310

CCCCCCCCCCC(CCCCCCCCCC)(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
SCHEMBL76018 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649025-B1 ADHESIVE STRENGTH ENHANCERS FOR CEMENTITIOUS COMPOSITIONS TROY CORP (US) 2019-06-26 EP disclosed
US-20130344250-A1 Process for Forming an Adhesive Bond TROY CORPORATION (US) 2013-12-26 US disclosed
US-8529693-B2 Adhesive strength enhancers for cementitious compositions TROY CORPORATION (US) 2013-09-10 US disclosed
US-20120148826-A1 Adhesive strength enhancers for cementitious compositions TROY CORPORATION 2012-06-14 US disclosed