SCHEMBL9825346

SCHEMBL9825346

N[C@H](Cc1ccccc1)C(=O)N(CC1CC(Cl)=NO1)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.38
SLC15A1 P46059 1/20 0.38
ITGB3 P05106 5/20 0.36
ITGA2B P08514 3/20 0.36
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
ITGAV P06756 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33
LTA4H P09960 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
SCHEMBL4936405 1.00 TGM2 (0.38) TGM2SLC15A1ITGB3ITGA2BALPI
SCHEMBL9826282 0.96 TGM2 (0.43) TGM2SLC15A1ITGB3ITGA2BSLC7A5
SCHEMBL4934061 0.89 TGM2 (0.49) TGM2SLC15A1ITGB3ITGA2BALPI
SCHEMBL4934993 0.89 TGM2 (0.49) TGM2SLC15A1ITGB3ITGA2BALPI
SCHEMBL9826287 0.87 SLC7A5 (0.37) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9825868 0.87 L3MBTL1 (0.36) TGM2SLC15A1ITGB3ITGA2BITGAV
SCHEMBL9826384 0.87 TGM2 (0.37) TGM2SLC15A1ITGB3ITGA2BALPI
SCHEMBL9825095 0.87 TGM2 (0.37) TGM2SLC15A1ITGB3ITGA2BALPI
SCHEMBL4934029 0.86 TACR1 (0.45) TGM2KDM4ELMNALTA4H
SCHEMBL9827234 0.86 FABP7 (0.35) ALPIPKMPTGS1XIAPSLC7A5

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