SCHEMBL5306172

SCHEMBL5306172

COc1cccc(-c2ccc(CCC(=O)Nc3cscc3C(=O)O)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.76
LTB4R Q15722 1/20 0.53
RAB9A P51151 1/20 0.52
HSD17B1 P14061 1/20 0.48
SLC13A5 Q86YT5 1/20 0.47
SENP1 Q9P0U3 1/20 0.46
MAOB P27338 2/20 0.46
MME P08473 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL5296892 0.92 HCAR2 (0.67) HCAR2LTB4RRAB9AHSD17B1SLC13A5
SCHEMBL5301209 0.89 HCAR2 (0.59) HCAR2LTB4R
SCHEMBL14340801 0.86 HCAR2 (1.00) HCAR2LTB4RRAB9A
SCHEMBL5062205 0.86 HCAR2 (0.64) HCAR2LTB4R
SCHEMBL3558904 0.84 HCAR2 (0.56) HCAR2RAB9A
SCHEMBL14609697 0.84 HCAR2 (0.58) HCAR2LTB4R
SCHEMBL5299672 0.83 HCAR2 (0.53) HCAR2LTB4R
SCHEMBL5306464 0.82 HCAR2 (0.55) HCAR2LTB4RMME
SCHEMBL5061223 0.82 KDM4E (0.62) HCAR2LTB4RRAB9A
SCHEMBL5300760 0.81 ALDH1A1 (0.56) HCAR2RAB9A

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