SCHEMBL20004846

SCHEMBL20004846

Cc1ccc(C#Cc2cc(F)c(C)cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.40
GRM5 P41594 5/20 0.40
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.38
KCNH2 Q12809 1/20 0.38
FFAR4 Q5NUL3 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL20004848 0.89 GRM5 (0.40) FFAR1GRM5FFAR4ACHE
SCHEMBL12700650 0.89 FFAR1 (0.40) FFAR1GRM5CA12CA2CA9
SCHEMBL19999533 0.87 FFAR1 (0.33) FFAR1GRM5CA12CA2CA9
SCHEMBL8979151 0.84 GRM5 (0.45) FFAR1GRM5CA12CA2CA9
SCHEMBL20015761 0.84 GRM5 (0.48) FFAR1GRM5CA12CA2CA9
SCHEMBL19999378 0.83 APP (0.47) FFAR1CA12CA2CA9CA1
SCHEMBL20004631 0.82 AAK1 (0.39) FFAR1GRM5CA12CA2CA9
SCHEMBL19401232 0.79 ACHE (0.50) FFAR1GRM5CA12CA2CA9
SCHEMBL20004811 0.79 FFAR1 (0.37) FFAR1GRM5CA12CA2CA9
SCHEMBL7851710 0.79 FFAR1 (0.39) FFAR1GRM5CA12CA2CA9

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-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed