SCHEMBL9826150

SCHEMBL9826150

CCSC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.51
CTSS P25774 4/20 0.51
CTSK P43235 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TGM2 P21980 1/20 0.51
CTSB P07858 4/20 0.46
KMT2A Q03164 1/20 0.46
CTSV O60911 1/20 0.45
F10 P00742 2/20 0.44
PRSS1 P07477 2/20 0.44
PSMB5 P28074 2/20 0.42

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
SCHEMBL9826397 0.86 TGM2 (0.69) CTSLCTSSCTSKTGM2CTSB
SCHEMBL9825336 0.86 TGM2 (0.69) CTSLCTSSCTSKTGM2CTSB
SCHEMBL9825801 0.86 TGM2 (0.55) CTSLCTSSCTSKTGM2CTSB
SCHEMBL9825517 0.83 TGM2 (0.75) CTSLCTSSCTSKTGM2CTSB
SCHEMBL4598750 0.83 TGM2 (0.70) CTSLCTSSCTSKL3MBTL1TGM2
SCHEMBL9825585 0.83 TGM2 (0.55) CTSLCTSSCTSKL3MBTL1TGM2
SCHEMBL9825686 0.83 TGM2 (0.54) CTSLCTSSCTSKL3MBTL1TGM2
SCHEMBL9826986 0.82 TGM2 (0.66) CTSLCTSSCTSKTGM2CTSB
SCHEMBL9825545 0.81 TGM2 (0.54) CTSLCTSSCTSKTGM2CTSB
SCHEMBL9827308 0.80 TGM2 (0.63) CTSLCTSSCTSKTGM2CTSB

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