SCHEMBL7840686

SCHEMBL7840686

O=C([O-])COc1ccc(CCNC(=O)c2cccc(CC3CCCC=C3c3nc(-c4ccccc4)c(-c4ccccc4)o3)c2)cc1.[Na+]

nearest known ligand 0.74

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 14/20 0.74
PTGER4 P35408 6/20 0.74
PTGER3 P43115 2/20 0.74
PTGER1 P34995 1/20 0.64
TBXA2R P21731 1/20 0.45
PTGER2 P43116 1/20 0.45
PTGDR Q13258 1/20 0.45
PARP1 P09874 3/20 0.38
FABP4 P15090 1/20 0.37

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
SCHEMBL7475010 0.94 PTGER4 (0.68) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL7475495 0.88 PTGER4 (0.78) PTGIRPTGER4PTGER3PTGER1PARP1
SCHEMBL7477735 0.88 PTGER4 (0.73) PTGIRPTGER4PTGER3PTGER1PARP1
SCHEMBL7844739 0.87 PTGER4 (0.69) PTGIRPTGER4PTGER3PTGER1PARP1
SCHEMBL8057380 0.86 PTGIR (1.00) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL7842424 0.85 PTGER4 (0.64) PTGIRPTGER4PTGER3PTGER1PARP1
SCHEMBL7486175 0.84 PTGER4 (0.70) PTGIRPTGER4PTGER3PTGER1PARP1
SCHEMBL7486168 0.84 PTGER4 (0.70) PTGIRPTGER4PTGER3PTGER1PARP1
Hydrochloric Acid SCHEMBL7481075 0.83 PTGER4 (0.69) PTGIRPTGER4PTGER3PTGER1PARP1
Hydrochloric Acid SCHEMBL7481069 0.83 PTGER4 (0.69) PTGIRPTGER4PTGER3PTGER1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115712-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-18 EP disclosed
WO-2000018744-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed