SCHEMBL9826284

SCHEMBL9826284

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC(Cl)=NO1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.59
CTSK P43235 7/20 0.59
CTSB P07858 3/20 0.59
CTSL P07711 2/20 0.59
TGM2 P21980 1/20 0.58
AKT1 P31749 1/20 0.52
ATM Q13315 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.48
SCN9A Q15858 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL4935926 0.89 TGM2 (0.72) CTSSCTSKCTSBCTSLTGM2
SCHEMBL9825586 0.88 CTSS (0.58) CTSSCTSKCTSBCTSLTGM2
SCHEMBL9825343 0.87 TGM2 (0.75) CTSSCTSKCTSBCTSLTGM2
SCHEMBL4936394 0.87 TGM2 (0.75) CTSSCTSKCTSBCTSLTGM2
SCHEMBL9825801 0.85 TGM2 (0.55) CTSSCTSKCTSBCTSLTGM2
SCHEMBL4935845 0.84 TGM2 (0.73) CTSSCTSKCTSBCTSLTGM2
SCHEMBL4937443 0.84 TGM2 (0.82) CTSSCTSKCTSBCTSLTGM2
SCHEMBL9825585 0.84 TGM2 (0.55) CTSSCTSKCTSBCTSLTGM2
SCHEMBL9826109 0.84 TGM2 (0.78) CTSSCTSKCTSBCTSLTGM2
SCHEMBL9825926 0.83 TGM2 (0.69) CTSSCTSKCTSBCTSLTGM2

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