SCHEMBL9825560

SCHEMBL9825560

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.56
CYP1A2 P05177 1/20 0.44
ITGB3 P05106 9/20 0.43
ITGAV P06756 8/20 0.43
ITGA2B P08514 6/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL9825509 0.93 TGM2 (0.58) TGM2CYP1A2ITGB3ITGAVITGA2B
SCHEMBL9825533 0.90 TGM2 (0.69) TGM2CYP1A2ITGB3ITGAVITGA2B
SCHEMBL9825862 0.85 CTSL (0.58) TGM2CYP1A2ITGB3ITGAV
SCHEMBL4936394 0.85 TGM2 (0.75) TGM2TACR1
SCHEMBL9825343 0.85 TGM2 (0.75) TGM2TACR1
SCHEMBL9825798 0.84 CTSL (0.59) TGM2CYP1A2
SCHEMBL9825235 0.83 TGM2 (0.71) TGM2CYP1A2ITGB3ITGAVITGA2B
SCHEMBL4935845 0.82 TGM2 (0.73) TGM2TACR1
SCHEMBL4937443 0.82 TGM2 (0.82) TGM2TACR1
SCHEMBL9826302 0.81 TGM2 (0.63) TGM2CYP1A2ITGB3ITGAV

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