SCHEMBL5299672

SCHEMBL5299672

COc1cccc(OC)c1-c1ccc(CCC(=O)Nc2cscc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 14/20 0.53
LTB4R Q15722 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL5306769 0.88 HCAR2 (0.54) HCAR2LTB4RSMN1; SMN2HPGDKDM4E
SCHEMBL5301209 0.84 HCAR2 (0.59) HCAR2LTB4R
SCHEMBL5306172 0.83 HCAR2 (0.76) HCAR2LTB4R
SCHEMBL5062205 0.83 HCAR2 (0.64) HCAR2LTB4RCYP2C8CYP2C9
SCHEMBL5300923 0.82 HCAR2 (0.65) HCAR2LTB4RSMN1; SMN2KDM4E
SCHEMBL5306921 0.81 LTB4R (0.53) HCAR2LTB4RSMN1; SMN2HPGD
SCHEMBL5329176 0.81 DHODH (0.53) HCAR2LTB4RCYP2C8CYP2C9
SCHEMBL5307245 0.80 KDM4E (0.52) HCAR2LTB4RSMN1; SMN2HPGDKDM4E
SCHEMBL5300831 0.80 HCAR2 (0.48) HCAR2LTB4RSMN1; SMN2HPGDKDM4E
SCHEMBL5295939 0.79 HCAR2 (0.51) HCAR2KDM4ECYP2C8CYP2C9

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