SCHEMBL19789974

SCHEMBL19789974

CCc1cc(C#Cc2ccc(C#Cc3ccccc3)cc2)ccc1C#Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.51
APP P05067 1/20 0.44
FFAR4 Q5NUL3 3/20 0.43
GRM5 P41594 3/20 0.42
HNF4A P41235 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13620852 0.92 FFAR1 (0.46) FFAR1APPFFAR4GRM5HNF4A
SCHEMBL12910016 0.84 CYP2A6 (0.47) FFAR1FFAR4ALDH1A1
SCHEMBL12891122 0.84 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL13621099 0.84 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL19790014 0.82 FFAR1 (0.44) FFAR1APPFFAR4NPC1SMN1; SMN2
SCHEMBL27418119 0.82 FFAR1 (0.64) FFAR1APPFFAR4NPC1SMN1; SMN2
SCHEMBL28493893 0.80 APP (0.43) FFAR1APPFFAR4GRM5HNF4A
SCHEMBL12807152 0.80 FFAR1 (0.38) FFAR1
SCHEMBL19789963 0.79 FFAR1 (0.41) FFAR1APPFFAR4GRM5NPC1
SCHEMBL30422047 0.78 CYP3A4 (0.41) FFAR1CYP1A2CYP3A4

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
EP-2794816-B1 LIQUID CRYSTAL MEDIUM AND HIGH FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed