SCHEMBL9825555

SCHEMBL9825555

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
MLYCD O95822 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9825722 0.90 MMP9 (0.33) NPSR1MMP9MMP8SLC1A3SLC1A2
SCHEMBL9825400 0.90 L3MBTL1 (0.33) NPSR1MMP9MMP8SLC1A3SLC1A2
SCHEMBL4935929 0.84 TGM2 (0.40) TGM2NPSR1MLYCDPOLBTHRB
SCHEMBL4598577 0.82 TGM2 (0.44) TGM2NPSR1MEN1CYP2C19KMT2A
SCHEMBL4598860 0.80 TGM2 (0.42) TGM2MEN1CYP2C19KMT2AITGB3
SCHEMBL9825651 0.79 HDAC3 (0.32) NPSR1MMP9MMP8SLC1A3SLC1A2
SCHEMBL4934061 0.76 TGM2 (0.49) TGM2ITGB3ITGA2B
SCHEMBL4934993 0.76 TGM2 (0.49) TGM2ITGB3ITGA2B
SCHEMBL9826287 0.74 SLC7A5 (0.37) NPSR1L3MBTL1MLYCDPOLBTHRB
SCHEMBL9827156 0.74 TGM2 (0.49) TGM2NPSR1MEN1KMT2ASMN1; SMN2

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