SCHEMBL9826332

SCHEMBL9826332

O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CC(Br)=NO1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.75
CYP1A2 P05177 1/20 0.47
ITGB3 P05106 5/20 0.46
ITGAV P06756 5/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
ITGA2B P08514 2/20 0.45
FOLH1 Q04609 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
SCHEMBL9827296 0.93 TGM2 (0.73) TGM2ITGB3ITGAVITGA2B
SCHEMBL9825458 0.90 TGM2 (0.61) TGM2CYP1A2ITGB3ITGAVCTSL
SCHEMBL3015992 0.89 TGM2 (0.93) TGM2CTSLCTSS
SCHEMBL1091121 0.89 TGM2 (0.93) TGM2CTSLCTSS
SCHEMBL1091157 0.89 TGM2 (0.93) TGM2CTSLCTSS
SCHEMBL1091124 0.89 TGM2 (0.93) TGM2CTSLCTSS
SCHEMBL1091158 0.89 TGM2 (0.93) TGM2CTSLCTSS
SCHEMBL9826072 0.88 TGM2 (0.59) TGM2CYP1A2ITGB3ITGAVCTSL
SCHEMBL9826016 0.88 TGM2 (0.72) TGM2CYP1A2CTSLCTSS
SCHEMBL1091635 0.87 TGM2 (0.73) TGM2CYP1A2ITGB3ITGAVITGA2B

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 2 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 claimed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP claimed