SCHEMBL10169995

SCHEMBL10169995

CCOc1cc2c(cc1C(=O)O)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.71

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
SCHEMBL671406 0.90 PTGES (0.84) PTGES
SCHEMBL10169962 0.84 PTGES (0.82) PTGES
SCHEMBL670964 0.84 PTGES (0.75) PTGES
SCHEMBL10170182 0.83 PTGES (1.00) PTGES
SCHEMBL671394 0.83 PTGES (0.83) PTGES
SCHEMBL10170939 0.82 PTGES (1.00) PTGES
SCHEMBL10170865 0.81 PTGES (0.73) PTGES
SCHEMBL10170868 0.81 PTGES (0.67) PTGES
SCHEMBL10170203 0.81 PTGES (1.00) PTGES
SCHEMBL9946627 0.80 PTGES (0.79) PTGES

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-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed