SCHEMBL9826016

SCHEMBL9826016

CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CC(Br)=NO1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.72
CA1 P00915 1/20 0.53
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
CYP1A2 P05177 1/20 0.47
CTSL P07711 2/20 0.46
CTSS P25774 1/20 0.46
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
KLK5 Q9Y337 1/20 0.45

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
SCHEMBL9826332 0.88 TGM2 (0.75) TGM2CYP1A2CTSLCTSS
SCHEMBL3015992 0.87 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1091157 0.87 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1091158 0.87 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1091121 0.87 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL1091124 0.87 TGM2 (0.93) TGM2CTSLCTSSCTSBCTSK
SCHEMBL9827296 0.86 TGM2 (0.73) TGM2
SCHEMBL5351858 0.85 TGM2 (0.73) TGM2CYP1A2
SCHEMBL9826307 0.85 TGM2 (0.73) TGM2CYP1A2
SCHEMBL1103747 0.84 TGM2 (0.72) TGM2CYP1A2CTSK

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