SCHEMBL7143030

SCHEMBL7143030

NC(OC(=O)c1cc(C(=O)NCc2ccccc2C(F)(F)F)ccn1)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.46
ROCK2 O75116 2/20 0.45
ALOX5 P09917 4/20 0.45
PPARG P37231 5/20 0.45
EPHX1 P07099 1/20 0.44
ROCK1 Q13464 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
SCHEMBL5215582 0.83 EPHX2 (0.57) EPHX2ROCK2PPARGROCK1
SCHEMBL30353792 0.78 EPHX2 (0.56) EPHX2ROCK2ALOX5PPARGROCK1
SCHEMBL24077903 0.78 EPHX2 (0.56) EPHX2ROCK2ALOX5PPARGROCK1
SCHEMBL6258412 0.76 ROCK2 (0.55) EPHX2ROCK2ROCK1
SCHEMBL7142998 0.75 MEN1 (0.43) EPHX2PPARG
SCHEMBL6253466 0.74 MLYCD (0.49)
SCHEMBL6254037 0.73 MLYCD (0.52) ROCK2ROCK1
SCHEMBL7093597 0.71 ALDH1A1 (0.52) ROCK2PPARG
SCHEMBL5209564 0.70 EPHX2 (0.57) EPHX2ROCK2ALOX5PPARGROCK1
SCHEMBL5643051 0.70 EPHX2 (0.79) EPHX2PPARG

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-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed