SCHEMBL9826419

SCHEMBL9826419

C=CCNC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.56
CTSS P25774 4/20 0.54
CTSL P07711 3/20 0.54
CTSB P07858 3/20 0.54
CTSK P43235 2/20 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
SCHEMBL9825813 0.89 CTSL (0.68) CTSSCTSLCTSBCTSK
SCHEMBL9826149 0.89 CTSL (0.68) CTSSCTSLCTSBCTSK
SCHEMBL7163042 0.86 CTSK (0.71) CTSSCTSLCTSBCTSK
SCHEMBL9826192 0.85 CTSL (0.63) CTSSCTSLCTSBCTSK
SCHEMBL28707519 0.85 CASP1 (0.60) CASP1CTSSCTSLCTSBCTSK
SCHEMBL7140209 0.85 CASP1 (0.60) CASP1CTSSCTSLCTSBCTSK
SCHEMBL28707521 0.85 CASP1 (0.60) CASP1CTSSCTSLCTSBCTSK
SCHEMBL9826741 0.83 CTSL (0.60) CTSSCTSLCTSBCTSK
SCHEMBL9825066 0.83 CTSL (0.57) CTSSCTSLCTSBCTSK
SCHEMBL9827320 0.83 CTSS (0.55) CTSSCTSLCTSBCTSK

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 4 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 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