SCHEMBL6141671

SCHEMBL6141671

C=CCC[C@H]1CC[C@H](CCc2ccc(C#Cc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
FFAR1 O14842 2/20 0.40
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
TEAD1 P28347 1/20 0.35
MAOB P27338 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
SCN9A Q15858 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
AOC3 Q16853 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL6142126 0.96 ACACB (0.38) ACACBFFAR1DRD2DRD4DRD3
SCHEMBL6142152 0.85 ACACB (0.35) ACACBFFAR1TEAD1MAOBSLC6A4
SCHEMBL6142046 0.84 ACACB (0.34) ACACBFFAR1TEAD1MAOBSLC6A4
SCHEMBL7857874 0.84 FFAR1 (0.46) ACACBFFAR1TEAD1MAOBGPR84
SCHEMBL6141799 0.84 HAO1 (0.35) ACACBFFAR1TEAD1MAOBSLC6A4
SCHEMBL6141752 0.84 ACACB (0.45) ACACBMAOB
SCHEMBL7851988 0.84 ACACB (0.35) ACACBMAOBKCNH2
SCHEMBL6142089 0.84 MAOB (0.48) FFAR1TEAD1MAOB
SCHEMBL6141770 0.82 L3MBTL1 (0.38) ACACBMAOBAOC3
SCHEMBL6142243 0.82 ACACB (0.33) ACACBMAOBAOC3

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