SCHEMBL5598558

SCHEMBL5598558

COCCn1c(C)nc2cc(C(=O)O)cc(OCc3ccc(F)cc3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
PTGER4 P35408 3/20 0.42
PTGER1 P34995 3/20 0.41
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR4A2 P43354 2/20 0.40
GLP1R P43220 1/20 0.40
XDH P47989 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
RXRA P19793 2/20 0.39

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
SCHEMBL1942913 0.91 GLP1R (0.45) PTGER4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14521393 0.90 PTGER4 (0.39) PPARAPTGER4ALDH1A1CYP1A2CYP3A4
SCHEMBL14522391 0.87 STING1 (0.42) PTGER4ALDH1A1HPGDSTING1
SCHEMBL14522385 0.86 USP2 (0.44) ALDH1A1CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL5598461 0.85 HSD17B10 (0.44) PTGER4ALDH1A1CYP1A2HPGDCASP1
SCHEMBL14522388 0.84 KMT2A (0.35) PPARAPTGER4PTGER1ALDH1A1CYP1A2
SCHEMBL14521330 0.84 STING1 (0.40) PPARAPTGER4ALDH1A1HPGDHSD17B10
SCHEMBL5598246 0.84 LMNA (0.41) PTGER1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5598194 0.83 PTGER4 (0.41) PTGER4GLP1R
SCHEMBL1943031 0.83 LMNA (0.46) PTGER4ALDH1A1CYP1A2CYP3A4CYP2C9

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
WO-2007072142-A2 BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed