SCHEMBL14430833

SCHEMBL14430833

CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OCc4ccccc4)c4ccccc4c3CCc3ccccc3)C2=O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PPARG P37231 4/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14431077 0.95 PTGER4 (0.48) PTGER4CYP1A2CYP2D6LTB4RLTB4R2
SCHEMBL10058498 0.93 PTGER4 (0.54) PTGER4CYP1A2CYP2D6LTB4RLTB4R2
SCHEMBL10058524 0.92 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL14431078 0.90 PTGER4 (0.47) PTGER4CYP1A2CYP2D6PPARGPPARD
SCHEMBL10058523 0.89 PTGER4 (0.50) PTGER4CYP1A2CYP2D6LTB4RLTB4R2
SCHEMBL10058520 0.88 PTGER4 (0.49) PTGER4CYP1A2CYP2D6ALDH1A1
SCHEMBL9606782 0.87 PTGER4 (0.54) PTGER4CYP1A2CYP2D6
SCHEMBL13942570 0.87 PTGER4 (0.59) PTGER4CYP1A2CYP2D6LTB4RLTB4R2
SCHEMBL9606761 0.85 PTGER4 (0.61) PTGER4CYP1A2CYP2D6
SCHEMBL14430780 0.84 PTGER4 (0.47) PTGER4CYP1A2CYP2D6LTB4RLTB4R2

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-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed