SCHEMBL20004811

SCHEMBL20004811

CCCc1cc(C)c(F)cc1C#Cc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.37
FFAR4 Q5NUL3 4/20 0.37
KCNH2 Q12809 3/20 0.35
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
GRM5 P41594 2/20 0.33
CA1 P00915 1/20 0.32

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
SCHEMBL20004808 0.86 FFAR1 (0.39) FFAR1FFAR4
SCHEMBL20004739 0.84 HRH3 (0.39) FFAR1
SCHEMBL19999397 0.80 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL20004846 0.79 FFAR1 (0.40) FFAR1FFAR4KCNH2CA12CA2
SCHEMBL8978969 0.79 FFAR1 (0.46) FFAR1FFAR4KCNH2
SCHEMBL7851582 0.78 FFAR1 (0.51) FFAR1FFAR4KCNH2
SCHEMBL7859951 0.78 FFAR1 (0.47) FFAR1FFAR4
SCHEMBL20005185 0.77 FFAR1 (0.47) FFAR1FFAR4
SCHEMBL7858993 0.77 FFAR1 (0.46) FFAR1FFAR4
SCHEMBL7859815 0.76 FFAR1 (0.36) FFAR1FFAR4KCNH2CA12CA2

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