SCHEMBL4031837

SCHEMBL4031837

CCCc1c2c(c(CCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
PPARG P37231 2/20 0.46
PPARA Q07869 3/20 0.45
PPARD Q03181 2/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DUSP3 P51452 1/20 0.43
DUSP22 Q9NRW4 1/20 0.43
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
GRK2 P25098 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL13942016 0.90 PTGER4 (0.83) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL12002020 0.87 PTGER4 (0.62) PTGER4CYP1A2CYP2D6PPARGPPARA
SCHEMBL13942014 0.85 PTGER4 (0.54) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL13415490 0.81 PTGER4 (0.70) PTGER4CYP1A2CYP2D6PPARAPPARD
SCHEMBL13943049 0.81 PTGER4 (0.63) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL14431119 0.81 PTGER4 (0.49) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL4025504 0.80 PTGER4 (0.67) PTGER4CYP1A2CYP2D6PPARAPPARD
SCHEMBL13941753 0.79 PTGER4 (0.67) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL3561041 0.79 PTGER4 (0.82) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL3557529 0.79 PTGER4 (1.00) PTGER4CYP1A2CYP2D6

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
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 WO claimed
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 WO disclosed