SCHEMBL17847145

SCHEMBL17847145

Cc1cc([C@H](C(=O)Nc2cccc(CC(C(=O)O)C(C)(C)C)c2C)C2CCCC2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.55
PTGES O14684 8/20 0.53

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
SCHEMBL3695986 0.86 PTGS2 (0.56) PTGS2PTGES
SCHEMBL17846928 0.81 PTGES (0.58) PTGS2PTGES
SCHEMBL17857956 0.81 PTGES (0.58) PTGS2PTGES
SCHEMBL3695154 0.78 PTGS2 (0.51) PTGS2PTGES
SCHEMBL3707803 0.78 PTGS2 (0.50) PTGS2PTGES
SCHEMBL3700405 0.77 PTGS2 (0.49) PTGS2PTGES
SCHEMBL3698762 0.77 PTGS2 (0.54) PTGS2PTGES
SCHEMBL3693006 0.76 PTGS2 (0.53) PTGS2PTGES
SCHEMBL3700233 0.76 PTGES (0.52) PTGS2PTGES
SCHEMBL17846825 0.76 PTGES (0.71) PTGS2PTGES

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-3233802-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
WO-2016097013-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed