SCHEMBL19789800

SCHEMBL19789800

Bc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4)cc3)cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
FFAR1 O14842 8/20 0.40
FFAR4 Q5NUL3 2/20 0.40
CHRM2 P08172 1/20 0.40
S1PR1 P21453 1/20 0.40
FPR1 P21462 1/20 0.40
FPR3 P25089 1/20 0.40
GPR183 P32249 1/20 0.40
APLNR P35414 1/20 0.40
GPR65 Q8IYL9 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL24390823 1.00 APP (0.41) APPFFAR1FFAR4CHRM2S1PR1
SCHEMBL19789973 1.00 APP (0.41) APPFFAR1FFAR4CHRM2S1PR1
SCHEMBL19790003 0.93 FFAR1 (0.40) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL28739768 0.91 APP (0.50) APPFFAR1FFAR4CHRM2S1PR1
SCHEMBL19790008 0.89 KCNH2 (0.41) APPFFAR1FFAR4CHRM2S1PR1
SCHEMBL19790005 0.82 APP (0.44) APPMAPTKDM4EMEN1NPC1
SCHEMBL19789972 0.79 APP (0.41) APPFFAR1FFAR4CHRM2S1PR1
SCHEMBL19789996 0.79 FFAR1 (0.49) APPFFAR1FFAR4MAPTKDM4E
SCHEMBL22225396 0.79 APP (0.67) APPFFAR1FFAR4MAPTKDM4E
SCHEMBL19789977 0.79 APP (0.67) APPFFAR1FFAR4MAPTKDM4E

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