SCHEMBL6142126

SCHEMBL6142126

C=CCC[C@H]1CC[C@H](CCc2ccc(-c3ccc(C#Cc4ccc(OC(F)(F)F)cc4)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.38
FFAR1 O14842 3/20 0.38
GRM2 Q14416 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
FFAR4 Q5NUL3 2/20 0.34
MAOB P27338 2/20 0.34
TEAD1 P28347 1/20 0.34
KDM1A O60341 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
DAGLB Q8NCG7 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
SCN9A Q15858 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL6141671 0.96 ACACB (0.40) ACACBFFAR1DRD2DRD4DRD3
SCHEMBL6141770 0.86 L3MBTL1 (0.38) ACACBGRM2MAOBKDM1ACHRM2
SCHEMBL6142034 0.85 FFAR1 (0.43) ACACBFFAR1GRM2FFAR4MAOB
SCHEMBL7861862 0.85 FFAR1 (0.43) ACACBFFAR1GRM2FFAR4MAOB
SCHEMBL9245859 0.85 MAOB (0.34) ACACBFFAR1GRM2MAOBTEAD1
SCHEMBL9245870 0.85 MAOB (0.34) ACACBFFAR1GRM2MAOBTEAD1
SCHEMBL6141798 0.85 ACACB (0.43) ACACBMAOB
SCHEMBL6141668 0.85 ACACB (0.33) ACACBMAOBGPR84HRH3
SCHEMBL6141734 0.85 MAOB (0.45) FFAR1MAOBTEAD1GPR84
SCHEMBL6141717 0.83 ACACB (0.46) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930286-B1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2005-01-12 EP disclosed
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