SCHEMBL9827329

SCHEMBL9827329

CCS(=O)(=O)C1=NOC(CN(C(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2ccc(O)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.42
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
OPRD1 P41143 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SLC7A5 Q01650 1/20 0.33
TYR P14679 1/20 0.33
ERAP2 Q6P179 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC15A1 P46059 1/20 0.33
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL9826282 0.85 TGM2 (0.43) TGM2ITGB3ITGA2BOPRD1CTSL
SCHEMBL4934993 0.82 TGM2 (0.49) TGM2ITGB3ITGA2BSLC7A5TYR
SCHEMBL4934061 0.82 TGM2 (0.49) TGM2ITGB3ITGA2BSLC7A5TYR
SCHEMBL9825095 0.82 TGM2 (0.37) TGM2ITGB3ITGA2BSLC7A5TYR
SCHEMBL9826384 0.82 TGM2 (0.37) TGM2ITGB3ITGA2BSLC7A5TYR
SCHEMBL4936405 0.81 TGM2 (0.38) TGM2ITGB3ITGA2BSLC7A5TYR
SCHEMBL9825346 0.81 TGM2 (0.38) TGM2ITGB3ITGA2BSLC7A5TYR
SCHEMBL9825676 0.80 TGM2 (0.47) TGM2ITGB3ITGA2BSLC7A5TYR
SCHEMBL9825692 0.80 TGM2 (0.46) TGM2
SCHEMBL4950332 0.79 TGM2 (0.47) TGM2ITGB3ITGA2BSLC7A5TYR

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