SCHEMBL4727902

SCHEMBL4727902

CCC(Oc1ccc(CCCC=NOCCn2c3ccccc3c3ccccc32)cc1C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.42
PPARG P37231 8/20 0.42
PPARD Q03181 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.35
PLA2G2A P14555 1/20 0.35
HPGD P15428 1/20 0.35
SMPD1 P17405 1/20 0.34
MCL1 Q07820 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
PTGIR P43119 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
SCHEMBL4726776 0.90 PPARA (0.44) PPARAPPARGPPARDPLA2G2AHPGD
SCHEMBL4729371 0.86 PPARA (0.35) PPARAPPARGPPARDPTGDR2
SCHEMBL4726516 0.84 PSEN1 (0.44) PPARAPPARGPPARDPLA2G2AHPGD
SCHEMBL4729118 0.84 PPARA (0.44) PPARAPPARGPPARDPLA2G2AHPGD
SCHEMBL4726775 0.81 PLA2G2A (0.43) PPARAPPARGPPARDPLA2G2AHPGD
SCHEMBL4727910 0.80 PPARA (0.41) PPARAPPARGPPARDPLA2G2AHPGD
SCHEMBL4727908 0.80 PPARA (0.41) PPARAPPARGPPARDPLA2G2AHPGD
SCHEMBL4726530 0.79 PLA2G2A (0.44) PPARAPPARGPPARDPLA2G2AHPGD
SCHEMBL4726529 0.79 PLA2G2A (0.44) PPARAPPARGPPARDPLA2G2AHPGD
SCHEMBL4728218 0.78 PPARA (0.47) PPARAPPARGPPARDPTGDR2HPGD

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
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed