SCHEMBL9825978

SCHEMBL9825978

C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.60
CTSL P07711 3/20 0.60
CTSK P43235 2/20 0.60
CTSS P25774 1/20 0.60
TACR1 P25103 2/20 0.53
REN P00797 1/20 0.52
CAPN1 P07384 1/20 0.52

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
SCHEMBL9826032 0.91 CTSL (0.60) CTSBCTSLCTSKCTSSTACR1
SCHEMBL9826149 0.91 CTSL (0.68) CTSBCTSLCTSKCTSSTACR1
SCHEMBL9825813 0.91 CTSL (0.68) CTSBCTSLCTSKCTSSTACR1
SCHEMBL9826192 0.87 CTSL (0.63) CTSBCTSLCTSKCTSSTACR1
SCHEMBL10789690 0.85 CTSB (0.64) CTSBCTSLCTSKCTSSTACR1
SCHEMBL10789675 0.85 CTSB (0.64) CTSBCTSLCTSKCTSSTACR1
SCHEMBL9825481 0.85 HDAC8 (0.62) CTSBCTSLCTSKCTSSTACR1
SCHEMBL9826741 0.85 CTSL (0.60) CTSBCTSLCTSKCTSSTACR1
SCHEMBL1436898 0.84 CAPN1 (0.62) CTSBCTSLCTSKCTSSTACR1
SCHEMBL9830575 0.84 CAPN1 (0.62) CTSBCTSLCTSKCTSSTACR1

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