SCHEMBL29078967

SCHEMBL29078967

CCCCCCCCCCCCCCCC(=O)OC(=O)CCC(=O)[O-].[Na+]

nearest known ligand 0.61

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 0.54
DGKA P23743 1/20 0.52
FABP3 P05413 5/20 0.52
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
GPR84 Q9NQS5 1/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL15735322 1.00 CA1 (0.54) CA1DGKAFABP3CES2CES1
Potassium Ion SCHEMBL29185344 0.96 FABP3 (0.55) CA1DGKAFABP3CES2CES1
Dodecanoic Anhydride SCHEMBL18166491 0.94 CA1 (0.61) CA1DGKAFABP3CES2CES1
SCHEMBL2698113 0.90 FABP3 (0.70) FABP3LMNA
Monoethanolamine SCHEMBL170506 0.90 CA1 (0.44) CA1DGKAFABP3CES2CES1
SCHEMBL446588 0.90 FABP3 (0.70) FABP3LMNA
Propionic Acid SCHEMBL28471621 0.89 DGKA (0.52) CA1DGKAFABP3CES2CES1
Propionic Acid SCHEMBL28481898 0.89 DGKA (0.52) CA1DGKAFABP3CES2CES1
SCHEMBL8985011 0.88 DGKA (0.64) DGKAFABP3CES2CES1GPR84
SCHEMBL8406703 0.88 DGKA (0.64) DGKAFABP3CES2CES1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116637046-A Oil-wax gel and cosmetic composition, cosmetic and method for concealing wrinkles 株式会社LG生活健康 2023-08-25 CN disclosed