SCHEMBL7861862

SCHEMBL7861862

C=CCCc1ccc(-c2ccc(C#Cc3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
ACACB O00763 2/20 0.43
FFAR4 Q5NUL3 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
DAO P14920 1/20 0.36
GRM2 Q14416 1/20 0.35
KIF11 P52732 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PTGER4 P35408 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SERPINE1 P05121 1/20 0.34
PPARA Q07869 1/20 0.34
TEAD1 P28347 1/20 0.34

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
SCHEMBL6142034 1.00 FFAR1 (0.43) FFAR1ACACBFFAR4GPR84MAOB
SCHEMBL7857874 0.96 FFAR1 (0.46) FFAR1ACACBFFAR4GPR84MAOB
SCHEMBL6142126 0.85 ACACB (0.38) FFAR1ACACBFFAR4GPR84MAOB
SCHEMBL3153736 0.85 FFAR1 (0.49) FFAR1ACACBGPR84MAOBAOC3
SCHEMBL6141675 0.85 FFAR1 (0.39) FFAR1ACACBGPR84MAOBAOC3
SCHEMBL3687216 0.82 ACACB (0.38) FFAR1ACACBFFAR4GPR84MAOB
SCHEMBL6141833 0.82 ACACB (0.35) FFAR1ACACBPPARA
SCHEMBL7852001 0.82 ACACB (0.35) FFAR1ACACBPPARA
SCHEMBL7858799 0.81 MAOB (0.49) FFAR1MAOBDAOKIF11
SCHEMBL6141768 0.81 MAOB (0.49) FFAR1MAOBDAOKIF11

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