SCHEMBL8005146

SCHEMBL8005146

CCc1ccc(C#Cc2ccc(C#Cc3ccc(CC)c(F)c3)cc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.54
FFAR4 Q5NUL3 14/20 0.54
TSPO P30536 1/20 0.40
DRD3 P35462 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL7858735 0.93 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL7857730 0.93 FFAR1 (0.50) FFAR1FFAR4GRM5
SCHEMBL7859964 0.91 FFAR1 (0.55) FFAR1FFAR4TSPODRD3
SCHEMBL7858788 0.91 FFAR1 (0.48) FFAR1FFAR4TSPODRD3GRM5
SCHEMBL7858545 0.88 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL7851534 0.88 FFAR1 (0.52) FFAR1FFAR4TSPODRD3
SCHEMBL7858709 0.87 FFAR1 (0.51) FFAR1FFAR4TSPODRD3
SCHEMBL7851776 0.85 FFAR1 (0.50) FFAR1FFAR4TSPODRD3
SCHEMBL7859880 0.85 FFAR1 (0.50) FFAR1FFAR4TSPODRD3
SCHEMBL7858570 0.85 FFAR1 (0.45) FFAR1FFAR4TSPODRD3

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-0968988-A1 ACETYLENE DERIVATIVES, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING THE SAME CHISSO CORPORATION (JP) 2000-01-05 EP disclosed