SCHEMBL9825545

SCHEMBL9825545

CCSC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.54
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL9825336 0.88 TGM2 (0.69) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9826397 0.88 TGM2 (0.69) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825786 0.87 TGM2 (0.71) TGM2
SCHEMBL9826978 0.86 TGM2 (0.56) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9827230 0.86 TGM2 (0.58) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825517 0.85 TGM2 (0.75) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825801 0.84 TGM2 (0.55) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9826986 0.83 TGM2 (0.66) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825279 0.82 TGM2 (0.63) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9827308 0.82 TGM2 (0.63) TGM2CTSLCTSBCTSSCTSK

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