SCHEMBL7860156

SCHEMBL7860156

C=CCCc1cc(F)c(C#Cc2ccc(CCC)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.36
THRB P10828 2/20 0.34
FFAR1 O14842 8/20 0.33
FFAR4 Q5NUL3 1/20 0.31
PLAU P00749 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
SCHEMBL6142227 0.96 ACACB (0.34) ACACBTHRBFFAR1
SCHEMBL6142065 0.94 ACACB (0.33) ACACBTHRB
SCHEMBL6142325 0.91 ACACB (0.34) ACACBTHRBFFAR1
SCHEMBL7857840 0.91 ACACB (0.34) ACACBTHRBFFAR1
SCHEMBL8755101 0.87 CYP2A6 (0.32) ACACB
SCHEMBL7859047 0.86 FFAR1 (0.37) ACACBFFAR1FFAR4
SCHEMBL7860167 0.85 ACACB (0.44) ACACBTHRBFFAR1FFAR4
SCHEMBL6142070 0.85 SPHK1 (0.35) ACACB
SCHEMBL8755553 0.84 ACACB (0.40) ACACBFFAR1FFAR4PLAU
SCHEMBL14228619 0.83 RARB (0.39) ACACBTHRBFFAR1FFAR4

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-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed