SCHEMBL7053256

SCHEMBL7053256

O=C([O-])COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccc(F)cc1)c1ccc(F)cc1)C2.[Na+]

nearest known ligand 0.71

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 9)

geneUniProtsupporting neighboursconfidence
PTGIR known ✓ P43119 15/20 0.71
PTGDR Q13258 5/20 0.71
PTGER3 P43115 2/20 0.71
PTGER1 P34995 1/20 0.71
RXRA P19793 2/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PTGER4 P35408 1/20 0.31
PTGER2 P43116 1/20 0.31

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
SCHEMBL7050802 0.90 PTGIR (0.87) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7050827 0.89 PTGIR (0.91) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7050841 0.87 PTGIR (0.69) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7052341 0.85 PTGIR (0.81) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7047631 0.85 PTGIR (0.74) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7051546 0.84 PTGIR (0.64) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7778677 0.83 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL29760759 0.83 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL6612986 0.83 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL6612991 0.83 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4

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
EP-1042277-B1 NAPHTHALENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-04-23 EP claimed
EP-1042277-A1 NAPHTHALENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-11 EP claimed
WO-1999032435-A1 NAPHTHALENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-01 WO claimed