SCHEMBL9825626

SCHEMBL9825626

COC1=NOC(CNC(=O)CN(Cc2cccc3ccccc23)C(=O)OCc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FSHR P23945 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
CASP1 P29466 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL4938340 0.89 TGM2 (0.47) TGM2ALDH1A1CASP1HDAC1HDAC6
SCHEMBL9825413 0.89 TGM2 (0.37) TGM2LMNACYP1A2CYP3A4CYP2C19
SCHEMBL9825753 0.87 FNTA (0.36) TGM2CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL9825126 0.77 TGM2 (0.43) TGM2LMNATSHRCYP1A2CYP3A4
SCHEMBL9826155 0.75 ALDH1A1 (0.48) TGM2LMNATSHRCYP1A2CYP3A4
SCHEMBL9825150 0.74 KMT2A (0.43) MEN1KMT2AL3MBTL1ALDH1A1FNTA
SCHEMBL9825819 0.73 TDP1 (0.47) CYP1A2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL9827105 0.70 TGM2 (0.51) TGM2
SCHEMBL9825843 0.69 TGM2 (0.64) TGM2LMNACYP1A2
SCHEMBL10818724 0.69 TGM2 (0.40) TGM2TDP1CASP1HDAC1HDAC6

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