SCHEMBL9825490

SCHEMBL9825490

Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)cc1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.86
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
KDM1A O60341 1/20 0.49
TACR1 P25103 2/20 0.47

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
SCHEMBL1091121 0.94 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL1091157 0.94 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL1091124 0.94 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL1091158 0.94 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL3015992 0.94 TGM2 (0.93) TGM2CTSLCTSBCTSSCTSK
SCHEMBL13934076 0.93 TGM2 (1.00) TGM2CTSLCTSBCTSSCTSK
SCHEMBL1103744 0.93 TGM2 (1.00) TGM2CTSLCTSBCTSSCTSK
SCHEMBL14070443 0.91 TGM2 (0.86) TGM2CTSLCTSBCTSSCTSK
SCHEMBL4925942 0.91 TGM2 (0.86) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9826132 0.91 TGM2 (0.86) TGM2CTSLCTSBCTSSCTSK

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