SCHEMBL28061528

SCHEMBL28061528

COc1ccc(S(=O)(=O)c2c(C)cc(CCC=O)cc2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.67
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
PKM P14618 3/20 0.47
FFAR4 Q5NUL3 6/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CYTH2 Q99418 1/20 0.41

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
SCHEMBL28154615 0.81 RAPGEF4 (0.67) RAPGEF4CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL11200612 0.81 RAPGEF4 (1.00) RAPGEF4CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL27986845 0.77 NPBWR1 (0.41) CYP2C9CYP2C19ALDH1A1CYP3A4FFAR4
SCHEMBL28091556 0.75 FFAR4 (0.36) RAPGEF4ALDH1A1FFAR4GABRG2GABRB3
SCHEMBL28061531 0.74 PTGS1 (0.38) ALDH1A1FFAR4GABRG2GABRB3GABRA3
SCHEMBL911097 0.74 TAAR1 (0.55) ALDH1A1CYP3A4
SCHEMBL6539948 0.71 PKM (0.68) RAPGEF4ALDH1A1CYP3A4PKMGAA
SCHEMBL28091696 0.71 RAPGEF4 (0.64) RAPGEF4CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL14992753 0.70 PKM (0.56) RAPGEF4CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL15417550 0.70 PKM (0.72) RAPGEF4CYP2C9CYP2C19ALDH1A1CYP3A4

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
CN-105906617-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2018-09-04 CN disclosed
CN-104254534-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2017-07-14 CN disclosed
CN-105906617-A Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2016-08-31 CN disclosed
CN-103038231-B Modulators of HEC1 activity and methods thereof Taivex Therapeutics Corp. (CN) 2016-04-20 CN disclosed