SCHEMBL9825800

SCHEMBL9825800

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IARS1 P41252 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ITGB3 P05106 2/20 0.35
SLC15A1 P46059 1/20 0.35
ITGA2B P08514 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
TGM2 P21980 1/20 0.33
ITGAV P06756 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 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
SCHEMBL9825868 0.92 L3MBTL1 (0.36) L3MBTL1ITGB3SLC15A1ITGA2BTGM2
SCHEMBL4598860 0.90 TGM2 (0.42) IARS1ITGB3SLC15A1ITGA2BCTSL
SCHEMBL9825695 0.88 IARS1 (0.40) IARS1ITGB3SLC15A1ITGA2BCTSL
SCHEMBL9825346 0.85 TGM2 (0.38) L3MBTL1ITGB3SLC15A1ITGA2BTGM2
SCHEMBL4936405 0.85 TGM2 (0.38) L3MBTL1ITGB3SLC15A1ITGA2BTGM2
SCHEMBL9826282 0.82 TGM2 (0.43) ITGB3SLC15A1ITGA2BCTSLCTSB
SCHEMBL4598577 0.81 TGM2 (0.44) L3MBTL1ITGB3SLC15A1ITGA2BTGM2
SCHEMBL9826251 0.81 L3MBTL1 (0.37) L3MBTL1ITGB3ITGA2BTGM2ITGAV
SCHEMBL9825722 0.80 MMP9 (0.33) L3MBTL1ITGB3ITGA2BSMN1; SMN2CYP2C19
SCHEMBL9825201 0.80 ITGB3 (0.36) IARS1L3MBTL1ITGB3SLC15A1ITGA2B

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