SCHEMBL5308463

SCHEMBL5308463

COc1ccccc1-c1ccc(CCC(=O)Nc2sccc2C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.64
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
LTB4R Q15722 1/20 0.50
PTPN1 P18031 1/20 0.48
MAPK8 P45983 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SLC13A5 Q86YT5 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MME P08473 1/20 0.46
MMEL1 Q495T6 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 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
SCHEMBL5300923 0.88 HCAR2 (0.65) HCAR2RAB9ANPC1LTB4RMAPK8
SCHEMBL5293614 0.86 RAB9A (0.54) HCAR2RAB9ANPC1LTB4RMAPK8
SCHEMBL5309078 0.84 LTB4R (0.54) HCAR2RAB9ANPC1LTB4RMAPK8
SCHEMBL5066827 0.84 HCAR2 (0.83) HCAR2RAB9ANPC1SMN1; SMN2POLB
SCHEMBL14340816 0.84 HCAR2 (0.71) HCAR2LTB4R
SCHEMBL5330444 0.83 NPC1 (0.57) HCAR2RAB9ANPC1PTPN1MAPK8
SCHEMBL5306769 0.82 HCAR2 (0.54) HCAR2LTB4RSMN1; SMN2SLC13A5HPGD
SCHEMBL5061069 0.80 RAB9A (0.86) HCAR2RAB9ANPC1LTB4RSMN1; SMN2
SCHEMBL5307210 0.80 NPC1 (0.69) HCAR2RAB9ANPC1LTB4RMAPK8
SCHEMBL12646406 0.78 SLC13A5 (0.56) LTB4RPTPN1SLC13A5MMEMMEL1

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