SCHEMBL7859016

SCHEMBL7859016

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCC)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.47
FFAR4 Q5NUL3 4/20 0.47
ACACB O00763 5/20 0.37
ALOX5 P09917 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7851732 0.90 FFAR1 (0.40) FFAR1FFAR4ACACB
SCHEMBL7858739 0.88 FFAR1 (0.48) FFAR1FFAR4ACACB
SCHEMBL7859826 0.87 FFAR1 (0.55) FFAR1FFAR4ACACBCNR1CNR2
SCHEMBL7859866 0.86 FFAR1 (0.39) FFAR1FFAR4ACACB
SCHEMBL10302787 0.85 FFAR1 (0.39) FFAR1FFAR4ACACBALOX5
SCHEMBL10302791 0.85 FFAR1 (0.44) FFAR1FFAR4ACACBALOX5
SCHEMBL7861617 0.85 FFAR1 (0.44) FFAR1FFAR4ACACB
SCHEMBL10302793 0.85 FFAR1 (0.40) FFAR1FFAR4ACACBALOX5TP53
SCHEMBL7858754 0.84 FFAR1 (0.52) FFAR1FFAR4ACACBCNR1CNR2
SCHEMBL7858585 0.84 FFAR1 (0.52) FFAR1FFAR4ACACB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6168728-B1 OPTICS WITH HIGH ANISOTROPIC VALUE CHISSO CORPORATION (JP) 2001-01-02 US disclosed
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