SCHEMBL7970537

SCHEMBL7970537

O=C([O-])c1ccccc1CC1CCCC=C1c1nc(-c2ccccc2)c(-c2ccccc2)o1.[Na+]

nearest known ligand 0.63

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 20)

geneUniProtsupporting neighboursconfidence
PTGIR known ✓ P43119 11/20 0.63
PTGS1 known ✓ P23219 1/20 0.35
PTGS2 known ✓ P35354 1/20 0.35
PTGER4 P35408 6/20 0.63
PTGER1 P34995 1/20 0.63
PTGER3 P43115 2/20 0.63
NR4A2 P43354 5/20 0.36
NR4A1 P22736 2/20 0.36
NR4A3 Q92570 2/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
FABP4 P15090 2/20 0.35
FABP3 P05413 1/20 0.35
TBXA2R P21731 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCC4 O15439 1/20 0.35
C5 P01031 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL7970546 0.91 PTGER4 (0.72) PTGIRPTGER4PTGER1PTGER3NR4A2
SCHEMBL7959932 0.87 PTGER4 (0.61) PTGIRPTGER4PTGER1PTGER3NR4A2
SCHEMBL7957705 0.86 PTGIR (0.67) PTGIRPTGER4PTGER1PTGER3NR4A2
SCHEMBL7963912 0.84 PTGER4 (0.64) PTGIRPTGER4PTGER1PTGER3NR4A2
SCHEMBL7949711 0.82 PTGIR (0.60) PTGIRPTGER4PTGER1PTGER3NR4A2
SCHEMBL7492555 0.81 PTGIR (0.64) PTGIRPTGER4PTGER1PTGER3NR4A2
SCHEMBL7990542 0.81 PTGIR (0.76) PTGIRPTGER4PTGER1PTGER3NR4A2
SCHEMBL7486495 0.80 PTGIR (0.61) PTGIRPTGER4PTGER1PTGER3NR4A2
SCHEMBL7493935 0.80 PTGER4 (0.58) PTGIRPTGER4PTGER1PTGER3RXRA
SCHEMBL7957721 0.80 PTGER4 (0.81) PTGIRPTGER4PTGER1PTGER3NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245790-B1 ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS; SKN DISORDERS; BONE DISORDERS; MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0989975-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed
WO-2000016760-A2 NEW USE OF PROSTAGLANDIN E2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-30 WO disclosed
WO-1998055468-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-10 WO disclosed