SCHEMBL9826376

SCHEMBL9826376

CC(C)COC(=O)N(CC1CC(Br)=NO1)C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.41
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
ELANE P08246 1/20 0.34
ANPEP P15144 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LTA4H P09960 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 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
SCHEMBL4934061 0.89 TGM2 (0.49) TGM2ALPIPKMPTGS1XIAP
SCHEMBL4934993 0.89 TGM2 (0.49) TGM2ALPIPKMPTGS1XIAP
SCHEMBL4935929 0.87 TGM2 (0.40) TGM2ALPIPKMPTGS1XIAP
SCHEMBL9825676 0.85 TGM2 (0.47) TGM2ALPIPKMPTGS1XIAP
SCHEMBL9825692 0.85 TGM2 (0.46) TGM2LTA4H
SCHEMBL4950332 0.84 TGM2 (0.47) TGM2ALPIPKMPTGS1XIAP
SCHEMBL9825788 0.84 TGM2 (0.39) TGM2ALPIPKMPTGS1XIAP
SCHEMBL9825838 0.84 TGM2 (0.41) TGM2ALPIPKMPTGS1XIAP
SCHEMBL4598756 0.83 TGM2 (0.42) TGM2ALPIPKMPTGS1XIAP
SCHEMBL4598577 0.81 TGM2 (0.44) 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 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 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