SCHEMBL9826166

SCHEMBL9826166

Nc1ccc(C[C@@H](C(=O)NCC2CC(Br)=NO2)N(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.61
ITGB3 P05106 4/20 0.39
ITGA2B P08514 2/20 0.39
CYP1A2 P05177 1/20 0.37
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
ITGAV P06756 2/20 0.35

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 0.88 TGM2 (0.57) TGM2ITGB3ITGA2BCYP1A2
SCHEMBL4935966 0.86 TGM2 (0.55) TGM2ITGB3ITGA2BCYP1A2
SCHEMBL9825654 0.85 TGM2 (0.62) TGM2ITGB3ITGA2BCYP1A2ITGAV
SCHEMBL9825490 0.83 TGM2 (0.86) TGM2
SCHEMBL4657328 0.82 TGM2 (0.58) TGM2ITGB3ITGA2BCYP1A2ITGAV
SCHEMBL4598615 0.80 TGM2 (0.51) TGM2
SCHEMBL9825955 0.79 TGM2 (0.46) TGM2ITGB3ITGA2BCYP1A2ITGAV
SCHEMBL4597992 0.78 TGM2 (0.56) TGM2
SCHEMBL9825089 0.78 TGM2 (0.46) TGM2ITGB3ITGA2BCYP1A2ITGAV
SCHEMBL1091124 0.77 TGM2 (0.93) 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 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-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed