SCHEMBL7628518

SCHEMBL7628518

O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)CC(CSCc1ccccc1)O2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 17/20 0.56
GPR55 Q9Y2T6 1/20 0.56
HDAC1 Q13547 1/20 0.44

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
SCHEMBL7632427 0.90 GPR35 (0.46) GPR35GPR55HDAC1
SCHEMBL7632378 0.87 GPR35 (0.58) GPR35GPR55
SCHEMBL7625167 0.85 GPR35 (0.57) GPR35GPR55
SCHEMBL7626486 0.81 GPR35 (0.49) GPR35GPR55
SCHEMBL7626468 0.81 GPR35 (0.56) GPR35GPR55
SCHEMBL7632445 0.80 GPR35 (0.54) GPR35GPR55
SCHEMBL7631395 0.79 GPR35 (0.57) GPR35GPR55
SCHEMBL7634224 0.79 GPR35 (0.49) GPR35GPR55
SCHEMBL7626547 0.78 RAB9A (0.47) HDAC1
SCHEMBL7633772 0.78 GPR35 (0.55) GPR35GPR55

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
EP-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed