SCHEMBL8070068

SCHEMBL8070068

O=C([O-])COc1cccc(CC2CCCC2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 14/20 1.00
PPARG known ✓ P37231 1/20 0.38
PTGER4 P35408 5/20 0.64
PTGER3 P43115 2/20 0.64
TBXA2R P21731 1/20 0.64
PTGER2 P43116 1/20 0.64
PTGDR Q13258 1/20 0.64
FABP4 P15090 1/20 0.44
NR4A2 P43354 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8056487 0.92 PTGIR (0.85) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8067469 0.91 PTGIR (0.86) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8656111 0.90 PTGIR (0.85) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8065467 0.90 PTGIR (0.85) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8075309 0.90 PTGIR (0.85) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8065468 0.90 PTGIR (0.85) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8075310 0.90 PTGIR (0.85) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8065464 0.90 PTGIR (0.85) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL7493184 0.90 PTGIR (0.84) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL7495806 0.90 PTGIR (0.84) PTGIRPTGER4PTGER3TBXA2RPTGER2

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-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP claimed