SCHEMBL9825868

SCHEMBL9825868

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ITGB3 P05106 5/20 0.36
ITGA2B P08514 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC15A1 P46059 1/20 0.34
CYP1A2 P05177 1/20 0.34
TGM2 P21980 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ITGAV P06756 4/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL9825800 0.92 IARS1 (0.37) L3MBTL1ITGB3ITGA2BGPBAR1CYP2C19
SCHEMBL4598577 0.89 TGM2 (0.44) L3MBTL1ITGB3ITGA2BCYP2C19MEN1
SCHEMBL9825201 0.88 ITGB3 (0.36) L3MBTL1ITGB3ITGA2BCYP2C19MEN1
SCHEMBL4936405 0.87 TGM2 (0.38) L3MBTL1ITGB3ITGA2BSLC15A1TGM2
SCHEMBL9825346 0.87 TGM2 (0.38) L3MBTL1ITGB3ITGA2BSLC15A1TGM2
SCHEMBL9826282 0.84 TGM2 (0.43) ITGB3ITGA2BSLC15A1TGM2
SCHEMBL9826251 0.83 L3MBTL1 (0.37) L3MBTL1ITGB3ITGA2BCYP2C19MEN1
SCHEMBL9825722 0.83 MMP9 (0.33) L3MBTL1ITGB3ITGA2BCYP2C19MEN1
SCHEMBL4598860 0.81 TGM2 (0.42) ITGB3ITGA2BCYP2C19MEN1KMT2A
SCHEMBL9825695 0.80 IARS1 (0.40) ITGB3ITGA2BCYP2C19MEN1KMT2A

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