SCHEMBL9825646

SCHEMBL9825646

C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.66
CTSS P25774 5/20 0.66
CTSK P43235 5/20 0.66
CTSB P07858 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
PSMB5 P28074 2/20 0.53
CTSV O60911 1/20 0.53
ACE P12821 2/20 0.51

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
SCHEMBL4072164 0.84 CTSL (0.74) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL3119269 0.83 CTSS (0.53) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL5815829 0.83 PSMB5 (0.55) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL28714613 0.82 CTSL (0.71) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL3498845 0.82 CTSL (0.71) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL9825813 0.81 CTSL (0.68) CTSLCTSSCTSKCTSB
SCHEMBL9826149 0.81 CTSL (0.68) CTSLCTSSCTSKCTSB
SCHEMBL16999265 0.80 CTSL (0.64) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL7417163 0.80 CTSL (0.68) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL27520440 0.80 CTSL (0.68) CTSLCTSSCTSKCTSBL3MBTL1

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