SCHEMBL7157352

SCHEMBL7157352

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

nearest known ligand 0.42

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
CA1 known ✓ P00915 1/20 0.41
CA2 known ✓ P00918 1/20 0.38
CES2 O00748 4/20 0.42
GPR84 Q9NQS5 1/20 0.39
CES1 P23141 3/20 0.38
FABP3 P05413 2/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL4879952 0.93 CES2 (0.44) CES2CA1GPR84CA2CES1
SCHEMBL7890037 0.93 CES2 (0.44) CES2CA1GPR84CA2CES1
SCHEMBL9893310 0.93 CES2 (0.44) CES2CA1GPR84CA2CES1
SCHEMBL76018 0.93 CES2 (0.44) CES2CA1GPR84CA2CES1
SCHEMBL10639504 0.93 CES2 (0.44) CES2CA1GPR84CA2CES1
SCHEMBL29052286 0.91 CA1 (0.45) CES2CA1GPR84CA2CES1
SCHEMBL7203595 0.91 CES2 (0.46) CES2CA1CES1FABP3EPHX1
SCHEMBL28434503 0.89 CES2 (0.43) CES2CA1CA2CES1
SCHEMBL28427716 0.85 CES2 (0.43) CES2CES1
SCHEMBL28419803 0.85 CES2 (0.43) CES2CES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118236733-A High-temperature-resistant high-pressure-resistant organic silicon defoamer and preparation method thereof 上海氟聚化学产品股份有限公司 2024-06-25 CN claimed
CN-119499718-A High-stability organic silicon defoamer and preparation method thereof 福建省西斯特环保材料科技有限责任公司 2025-02-25 CN disclosed
US-20030141491-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2003-07-31 US disclosed