SCHEMBL28664374

SCHEMBL28664374

CCCCCCCC/C=C\CCCCCCCCOCCCCCCCC/C=C\CCCCCCCC.O=C([O-])CC(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.49

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 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
FABP3 P05413 7/20 0.46
SLC6A5 Q9Y345 1/20 0.43
P2RY10 O00398 1/20 0.41

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
SCHEMBL671818 0.92 RECQL (0.40) EPHX2
SCHEMBL28690849 0.92 RECQL (0.40) EPHX2
SCHEMBL28709042 0.92 RECQL (0.40) EPHX2
SCHEMBL28690847 0.92 RECQL (0.40) EPHX2
SCHEMBL31402373 0.92 RECQL (0.40) EPHX2
SCHEMBL8000985 0.91 RECQL (0.39) EPHX2
SCHEMBL2726851 0.91 MEN1 (0.41) EPHX2
Oleyl Alcohol SCHEMBL28032267 0.88 EPHX2 (0.50) EPHX2FABP3SLC6A5
SCHEMBL23064683 0.87 FABP3 (0.48) EPHX2FABP3SLC6A5
SCHEMBL4261598 0.87 FABP3 (0.48) EPHX2FABP3SLC6A5

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-113373687-B Treating agent for artificial silk ear and artificial silk ear using the same 三吉油脂株式会社 2025-02-18 CN disclosed
CN-105030555-B Surfactant compositions and high oil content formulations containing the same 赢创运营有限公司 2021-10-15 CN disclosed
CN-113373687-A Agent for treating artificial silk ear barrel and artificial silk ear barrel using same 三吉油脂株式会社 2021-09-10 CN disclosed