SCHEMBL9826686

SCHEMBL9826686

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.41
MARS1 P56192 7/20 0.39
KLK7 P49862 1/20 0.36
MME P08473 1/20 0.35
ANPEP P15144 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KLK5 Q9Y337 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 1/20 0.33
CA1 P00915 1/20 0.33

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 0.87 TGM2 (0.49) TGM2ITGB3ITGA2B
SCHEMBL4934061 0.87 TGM2 (0.49) TGM2ITGB3ITGA2B
SCHEMBL9826313 0.85 TGM2 (0.42) TGM2ITGB3ITGA2B
SCHEMBL4598577 0.84 TGM2 (0.44) TGM2ITGB3ITGA2B
SCHEMBL9825676 0.83 TGM2 (0.47) TGM2ITGB3ITGA2B
SCHEMBL9825692 0.82 TGM2 (0.46) TGM2
SCHEMBL9827156 0.82 TGM2 (0.49) TGM2CA1
SCHEMBL4950332 0.82 TGM2 (0.47) TGM2ITGB3ITGA2B
SCHEMBL4598860 0.82 TGM2 (0.42) TGM2ITGB3ITGA2B
SCHEMBL9826320 0.79 TGM2 (0.43) TGM2MARS1

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