SCHEMBL13620852

SCHEMBL13620852

CCc1cc(C#Cc2ccc(C#Cc3ccccc3)cc2CC)ccc1C#Cc1ccc(S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.46
FFAR4 Q5NUL3 3/20 0.38
GRM4 Q14833 1/20 0.38
APP P05067 1/20 0.38
GRM5 P41594 3/20 0.37
HNF4A P41235 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12891122 0.94 FFAR1 (0.40) FFAR1FFAR4GRM4
SCHEMBL13621099 0.94 FFAR1 (0.40) FFAR1FFAR4GRM4
SCHEMBL19789974 0.92 FFAR1 (0.51) FFAR1FFAR4APPGRM5HNF4A
SCHEMBL19789963 0.88 FFAR1 (0.41) FFAR1FFAR4APPGRM5NPC1
SCHEMBL19790043 0.86 FFAR1 (0.36) FFAR1
SCHEMBL13620959 0.82 FFAR1 (0.34) FFAR1MMP2MMP9
SCHEMBL19057289 0.81 GABRA1 (0.36) FFAR1HSD17B10
SCHEMBL23335247 0.80 ALDH1A1 (0.43) FFAR1SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL23335296 0.80 TRPV4 (0.50) FFAR1FFAR4
SCHEMBL12910016 0.77 CYP2A6 (0.47) FFAR1FFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009143328-A2 ON WIRE LITHOGRAPHY-BASED MOLECULAR TRANSPORT JUNCTIONS NORTHWESTERN UNIVERSITY (US) 2009-11-26 WO disclosed