SCHEMBL19789963

SCHEMBL19789963

CCCc1cc(C#Cc2ccc(C#Cc3ccccc3)cc2)ccc1C#Cc1ccc(S)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.41
FFAR4 Q5NUL3 6/20 0.37
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
APP P05067 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
GRM5 P41594 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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 0.88 FFAR1 (0.46) FFAR1FFAR4NPC1SMN1; SMN2HTT
SCHEMBL13621099 0.81 FFAR1 (0.40) FFAR1FFAR4MTNR1AMTNR1B
SCHEMBL12891122 0.81 FFAR1 (0.40) FFAR1FFAR4MTNR1AMTNR1B
SCHEMBL19308539 0.80 FFAR1 (0.37) FFAR1FFAR4NPC1SMN1; SMN2HTT
SCHEMBL19789974 0.79 FFAR1 (0.51) FFAR1FFAR4NPC1SMN1; SMN2HTT
SCHEMBL19790015 0.78 FFAR1 (0.35) FFAR1MTNR1AMTNR1B
SCHEMBL19789970 0.77 FFAR1 (0.39) FFAR1FFAR4NPC1SMN1; SMN2HTT
SCHEMBL19790043 0.75 FFAR1 (0.36) FFAR1
SCHEMBL19057289 0.73 GABRA1 (0.36) FFAR1MTNR1AMTNR1BHSD17B10
SCHEMBL28417772 0.73 APP (0.67) FFAR1FFAR4NPC1SMN1; SMN2APP

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