SCHEMBL9825813

SCHEMBL9825813

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

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.68
CTSB P07858 6/20 0.68
CTSS P25774 3/20 0.68
CTSK P43235 1/20 0.68
TACR1 P25103 2/20 0.62

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
SCHEMBL9826149 1.00 CTSL (0.68) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9826192 0.95 CTSL (0.63) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9826741 0.93 CTSL (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825481 0.91 HDAC8 (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9826032 0.91 CTSL (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825292 0.91 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825066 0.91 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825978 0.91 CTSB (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825358 0.89 CTSL (0.56) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9826419 0.89 CASP1 (0.56) CTSLCTSBCTSSCTSK

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