SCHEMBL19789996

SCHEMBL19789996

Bc1ccc(C#Cc2ccc(C#Cc3ccccc3)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.49
FFAR4 Q5NUL3 6/20 0.49
APP P05067 1/20 0.41
GRM5 P41594 5/20 0.41
HAO1 Q9UJM8 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HNF4A P41235 1/20 0.37
TSPO P30536 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
SCHEMBL19790042 0.93 FFAR1 (0.40) FFAR1FFAR4GRM5HAO1
SCHEMBL19188455 0.91 FFAR1 (0.55) FFAR1FFAR4APPGRM5HAO1
SCHEMBL10091204 0.83 FFAR1 (0.49) FFAR1FFAR4APPGRM5HAO1
SCHEMBL19790005 0.82 APP (0.44) APPGRM5MAPTKDM4EMEN1
SCHEMBL16982720 0.81 FFAR1 (0.50) FFAR1FFAR4APPGRM5HAO1
SCHEMBL24390823 0.79 APP (0.41) FFAR1FFAR4APPGRM5MAPT
SCHEMBL19789973 0.79 APP (0.41) FFAR1FFAR4APPGRM5MAPT
SCHEMBL19789800 0.79 APP (0.41) FFAR1FFAR4APPGRM5MAPT
SCHEMBL22225396 0.79 APP (0.67) FFAR1FFAR4APPGRM5MAPT
SCHEMBL19789977 0.79 APP (0.67) FFAR1FFAR4APPGRM5MAPT

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