SCHEMBL9825692

SCHEMBL9825692

COc1ccc(COC(=O)N(CC2CC(Br)=NO2)C(=O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.46
TPH1 P17752 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 2/20 0.37
MIF P14174 1/20 0.36
LAP3 P28838 1/20 0.36

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
SCHEMBL4934061 0.93 TGM2 (0.49) TGM2LTA4HLAP3
SCHEMBL4934993 0.93 TGM2 (0.49) TGM2LTA4HLAP3
SCHEMBL9825676 0.90 TGM2 (0.47) TGM2LTA4HLAP3
SCHEMBL4950332 0.90 TGM2 (0.47) TGM2LTA4HLAP3
SCHEMBL9826320 0.88 TGM2 (0.43) TGM2TPH1MIF
SCHEMBL9825095 0.87 TGM2 (0.37) TGM2SMN1; SMN2LTA4H
SCHEMBL9826384 0.87 TGM2 (0.37) TGM2SMN1; SMN2LTA4H
SCHEMBL4934794 0.86 TGM2 (0.40) TGM2TPH1CHRM5CHRM1CHRM3
SCHEMBL9826376 0.85 TGM2 (0.41) TGM2LTA4H
SCHEMBL9825838 0.83 TGM2 (0.41) TGM2

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 5 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 claimed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US claimed
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