SCHEMBL9826282

SCHEMBL9826282

N[C@@H](Cc1ccc(O)cc1)C(=O)N(CC1CC(Cl)=NO1)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.43
SLC7A5 Q01650 1/20 0.36
TYR P14679 1/20 0.36
SLC15A1 P46059 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MIF P14174 1/20 0.33
OPRD1 P41143 1/20 0.33
ERAP2 Q6P179 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33

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
SCHEMBL9825346 0.96 TGM2 (0.38) TGM2SLC7A5TYRSLC15A1ITGB3
SCHEMBL4936405 0.96 TGM2 (0.38) TGM2SLC7A5TYRSLC15A1ITGB3
SCHEMBL4934993 0.86 TGM2 (0.49) TGM2SLC7A5TYRSLC15A1ITGB3
SCHEMBL4934061 0.86 TGM2 (0.49) TGM2SLC7A5TYRSLC15A1ITGB3
SCHEMBL9827329 0.85 TGM2 (0.42) TGM2SLC7A5TYRSLC15A1HDAC8
SCHEMBL9825868 0.84 L3MBTL1 (0.36) TGM2SLC15A1ITGB3ITGA2B
SCHEMBL9826287 0.84 SLC7A5 (0.37) SLC7A5
SCHEMBL9825676 0.84 TGM2 (0.47) TGM2SLC7A5TYRSLC15A1ITGB3
SCHEMBL4929784 0.84 SLC7A5 (0.40) TGM2SLC7A5TYRSLC15A1ITGB3
SCHEMBL9826384 0.83 TGM2 (0.37) TGM2SLC7A5TYRSLC15A1ITGB3

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 4 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 disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed