SCHEMBL9826313

SCHEMBL9826313

N[C@@H](CSCc1ccccc1)C(=O)N(CC1CC(Br)=NO1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.42
ITGB3 P05106 5/20 0.35
ITGA2B P08514 3/20 0.35
PPARA Q07869 3/20 0.34
PPARG P37231 1/20 0.34
IDO1 P14902 2/20 0.33
ITGAV P06756 4/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL4934993 0.88 TGM2 (0.49) TGM2ITGB3ITGA2BIDO1ITGAV
SCHEMBL4934061 0.88 TGM2 (0.49) TGM2ITGB3ITGA2BIDO1ITGAV
SCHEMBL9826686 0.85 TGM2 (0.41) TGM2ITGB3ITGA2B
SCHEMBL9825676 0.84 TGM2 (0.47) TGM2ITGB3ITGA2BITGAV
SCHEMBL9827156 0.83 TGM2 (0.49) TGM2
SCHEMBL4598577 0.83 TGM2 (0.44) TGM2ITGB3ITGA2BITGAV
SCHEMBL4950332 0.83 TGM2 (0.47) TGM2ITGB3ITGA2BITGAV
SCHEMBL9825692 0.81 TGM2 (0.46) TGM2
SCHEMBL4598860 0.81 TGM2 (0.42) TGM2ITGB3ITGA2BITGAV
SCHEMBL4598760 0.80 TGM2 (0.45) TGM2ITGB3ITGA2BITGAV

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP claimed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP claimed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed