SCHEMBL9825955

SCHEMBL9825955

C[C@H](N)C(=O)N(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC1CC(Cl)=NO1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.46
CYP1A2 P05177 1/20 0.39
ITGB3 P05106 6/20 0.39
ITGA2B P08514 4/20 0.39
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
ECE1 P42892 1/20 0.35
LMNA P02545 1/20 0.35
ITGAV P06756 2/20 0.34

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
SCHEMBL4932001 0.91 TGM2 (0.57) TGM2CYP1A2ITGB3ITGA2BMME
SCHEMBL9825089 0.89 TGM2 (0.46) TGM2CYP1A2ITGB3ITGA2BMME
SCHEMBL9825565 0.87 TGM2 (0.47) TGM2CYP1A2ITGB3ITGA2BMME
SCHEMBL9825615 0.87 TGM2 (0.44) TGM2CYP1A2ITGB3ITGA2BMME
SCHEMBL4935966 0.84 TGM2 (0.55) TGM2CYP1A2ITGB3ITGA2BMME
SCHEMBL9826166 0.79 TGM2 (0.61) TGM2CYP1A2ITGB3ITGA2BITGAV
SCHEMBL4657328 0.78 TGM2 (0.58) TGM2CYP1A2ITGB3ITGA2BMME
SCHEMBL9825560 0.77 TGM2 (0.56) TGM2CYP1A2ITGB3ITGA2BITGAV
SCHEMBL9826414 0.77 TGM2 (0.46) TGM2CYP1A2ITGB3ITGA2BMME
SCHEMBL9825654 0.76 TGM2 (0.62) TGM2CYP1A2ITGB3ITGA2BMME

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