SCHEMBL4611030

SCHEMBL4611030

CCCOc1c2c(c(O)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2D6 P10635 1/20 0.74
PPARG P37231 1/20 0.38

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
SCHEMBL3561041 0.94 PTGER4 (0.82) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL3566760 0.91 PTGER4 (0.89) PTGER4CYP1A2CYP2D6
SCHEMBL4410607 0.91 PTGER4 (0.89) PTGER4CYP1A2CYP2D6
SCHEMBL3573521 0.90 PTGER4 (0.83) PTGER4CYP1A2CYP2D6
SCHEMBL11967638 0.89 PTGER4 (0.74) PTGER4CYP1A2CYP2D6
SCHEMBL4620056 0.89 PTGER4 (0.74) PTGER4CYP1A2CYP2D6
SCHEMBL3571086 0.89 PTGER4 (0.80) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL27740580 0.89 PTGER4 (0.61) PTGER4CYP1A2CYP2D6
SCHEMBL3568198 0.88 PTGER4 (0.71) PTGER4CYP1A2CYP2D6
SCHEMBL3565993 0.87 PTGER4 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
EP-1979317-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed