SCHEMBL9827296

SCHEMBL9827296

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

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.73
SMN1; SMN2 Q16637 1/20 0.50
ITGB3 P05106 5/20 0.49
ITGAV P06756 5/20 0.49
ITGA2B P08514 2/20 0.47

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
SCHEMBL9826332 0.93 TGM2 (0.75) TGM2ITGB3ITGAVITGA2B
SCHEMBL3015992 0.88 TGM2 (0.93) TGM2
SCHEMBL1091157 0.88 TGM2 (0.93) TGM2
SCHEMBL1091121 0.88 TGM2 (0.93) TGM2
SCHEMBL1091124 0.88 TGM2 (0.93) TGM2
SCHEMBL1091158 0.88 TGM2 (0.93) TGM2
SCHEMBL9825176 0.87 TGM2 (0.65) TGM2ITGB3ITGAVITGA2B
SCHEMBL9826016 0.86 TGM2 (0.72) TGM2
SCHEMBL9825490 0.85 TGM2 (0.86) TGM2
SCHEMBL13934076 0.84 TGM2 (1.00) TGM2

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 1 patent. 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