SCHEMBL9825633

SCHEMBL9825633

CC(=O)N(c1cccc2ccccc12)[C@@H](C)C(=O)NCC1CC(Cl)=NO1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
TGM2 P21980 4/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP9 P14780 1/20 0.32
PKM P14618 1/20 0.32
CASP1 P29466 2/20 0.31
CASR P41180 1/20 0.31
TSHR P16473 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
SCHEMBL4598486 0.90 TGM2 (0.43) LMNATGM2NFKB1NFKB2RELA
SCHEMBL9827027 0.87 TGM2 (0.35) LMNACYP3A4CYP2C19TGM2NFKB1
SCHEMBL9826958 0.86 TGM2 (0.33) LMNATGM2NFKB1NFKB2RELA
SCHEMBL4934726 0.86 TGM2 (0.44) LMNACYP3A4CYP2C19TGM2ALDH1A1
SCHEMBL9826662 0.77 TGM2 (0.53) CYP3A4CYP2C19TGM2ALDH1A1HPGD
SCHEMBL9825126 0.75 TGM2 (0.43) LMNACYP3A4CYP2C19TGM2ALDH1A1
SCHEMBL9825407 0.74 TGM2 (0.42) CYP3A4CYP2C19TGM2ALDH1A1HPGD
SCHEMBL9825275 0.72 ALDH1A1 (0.51) LMNAALDH1A1HPGDHSD17B10MMP9
SCHEMBL9811021 0.68 MME (0.39) LMNAALDH1A1
SCHEMBL6119288 0.68 SMPD2 (0.47) GAA

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