SCHEMBL9826660

SCHEMBL9826660

CCSC1=NOC(CNC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(N)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.49
ITGB3 P05106 13/20 0.49
ITGAV P06756 12/20 0.49
ITGA2B P08514 9/20 0.48
SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL9825638 0.87 TGM2 (0.57) TGM2ITGB3ITGAVITGA2B
SCHEMBL9825176 0.86 TGM2 (0.65) TGM2ITGB3ITGAVITGA2B
SCHEMBL9827105 0.86 TGM2 (0.51) TGM2ITGB3ITGAVITGA2BSIRT2
SCHEMBL9826151 0.85 TGM2 (0.53) TGM2ITGB3ITGAVITGA2BSIRT2
SCHEMBL9826397 0.84 TGM2 (0.69) TGM2
SCHEMBL9825336 0.84 TGM2 (0.69) TGM2
SCHEMBL9825943 0.83 TGM2 (0.59) TGM2ITGB3ITGAV
SCHEMBL9826249 0.82 ALDH1A1 (0.46) TGM2ITGB3ITGAVITGA2B
SCHEMBL9825517 0.81 TGM2 (0.75) TGM2
SCHEMBL9826129 0.80 CTSL (0.54) TGM2ITGB3ITGAV

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 3 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