SCHEMBL7994136

SCHEMBL7994136

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)B2C=CC=C2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.54
FEN1 P39748 20/20 0.54

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
SCHEMBL7995533 0.88 ALOX5AP (0.49) ALOX5APFEN1
SCHEMBL7995485 0.85 FEN1 (0.41) ALOX5APFEN1
SCHEMBL15916565 0.84 ALOX5AP (0.60) ALOX5APFEN1
SCHEMBL7994011 0.83 ALOX5AP (0.42) ALOX5APFEN1
SCHEMBL15936747 0.83 ALOX5AP (0.62) ALOX5APFEN1
SCHEMBL8001453 0.82 ALOX5AP (0.51) ALOX5APFEN1
SCHEMBL9122272 0.77 ALOX5AP (0.65) ALOX5APFEN1
SCHEMBL7994138 0.77 ALOX5AP (0.51) ALOX5APFEN1
SCHEMBL15916277 0.76 ALOX5AP (0.61) ALOX5APFEN1
SCHEMBL7130070 0.76 ALOX5AP (0.55) ALOX5APFEN1

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-0810858-A4 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN DU PONT PHARM CO (US) 2000-11-15 EP disclosed
EP-0810858-A2 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-10 EP disclosed
WO-1996020689-A2 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-11 WO disclosed