SCHEMBL9825838

SCHEMBL9825838

N[C@@H](Cc1ccccc1)C(=O)N(CC1CC(Br)=NO1)C(=O)OCc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.41
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
SLC1A5 Q15758 1/20 0.33
MAOB P27338 1/20 0.33
THRB P10828 1/20 0.33
SLC15A1 P46059 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL4934061 0.90 TGM2 (0.49) TGM2ITGB3ITGA2BSLC15A1ALPI
SCHEMBL4934993 0.90 TGM2 (0.49) TGM2ITGB3ITGA2BSLC15A1ALPI
SCHEMBL9825676 0.86 TGM2 (0.47) TGM2ITGB3ITGA2BSLC15A1ALPI
SCHEMBL4950332 0.85 TGM2 (0.47) TGM2ITGB3ITGA2BSLC15A1ALPI
SCHEMBL9826376 0.84 TGM2 (0.41) TGM2ALPIPKMPTGS1XIAP
SCHEMBL9825692 0.83 TGM2 (0.46) TGM2
SCHEMBL4936405 0.83 TGM2 (0.38) TGM2ITGB3ITGA2BL3MBTL1SLC15A1
SCHEMBL9825346 0.83 TGM2 (0.38) TGM2ITGB3ITGA2BL3MBTL1SLC15A1
SCHEMBL4935929 0.83 TGM2 (0.40) TGM2MAPTTHRBPOLBALPI
SCHEMBL9825788 0.82 TGM2 (0.39) TGM2L3MBTL1MAPTALPIPKM

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