SCHEMBL7554154

SCHEMBL7554154

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

nearest known ligand 0.37

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 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
ABCC4 O15439 1/20 0.34
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 2/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL10334315 1.00 LPAR3 (0.37) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL7554092 0.85 RECQL (0.40) LPAR3LPAR2ALDH1A1CYP3A4TSHR
Propene SCHEMBL10334314 0.83 RECQL (0.39) TSHRRECQLHPGD
SCHEMBL23064683 0.82 FABP3 (0.48)
SCHEMBL4261589 0.82 FABP3 (0.48)
SCHEMBL4261598 0.82 FABP3 (0.48)
SCHEMBL2120653 0.82 FABP3 (0.48)
SCHEMBL6139132 0.81 RECQL (0.43) TSHRRECQLHPGD
SCHEMBL8376551 0.81 RECQL (0.43) TSHRRECQLHPGD
SCHEMBL401362 0.81 RECQL (0.43) TSHRRECQLHPGD

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
EP-0866715-B1 COMBINATION OF A MYRTLE EXTRACT AND ANTIFUNGAL AGENTS FABRE PIERRE DERMO COSMETIQUE (FR) 2002-07-17 EP claimed