SCHEMBL5329176

SCHEMBL5329176

CCOc1ccccc1-c1ccc(CCC(=O)Nc2cscc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.53
HCAR2 Q8TDS4 13/20 0.53
MME P08473 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTB4R Q15722 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5306138 0.91 KDM4E (0.49) DHODHHCAR2MMETDP1GAA
SCHEMBL5306769 0.90 HCAR2 (0.54) HCAR2CYP2C8CYP2C9LTB4R
SCHEMBL5305006 0.85 DHODH (0.53) DHODHHCAR2MMECYP2C8CYP2C9
SCHEMBL5062205 0.83 HCAR2 (0.64) HCAR2CYP2C8CYP2C9LTB4R
SCHEMBL5300869 0.82 HCAR2 (0.62) HCAR2CYP2C8CYP2C9ALDH1A1
SCHEMBL5302935 0.82 HCAR2 (0.76) HCAR2CYP2C8CYP2C9
SCHEMBL14609869 0.82 HCAR2 (0.57) HCAR2CYP2C8CYP2C9
SCHEMBL5294627 0.82 HCAR2 (0.55) HCAR2CYP2C8CYP2C9
SCHEMBL5302041 0.82 DHODH (0.52) DHODHHCAR2MMETDP1GAA
SCHEMBL5307245 0.82 KDM4E (0.52) HCAR2GAALTB4RALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO claimed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed