SCHEMBL6142020

SCHEMBL6142020

C=CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(C#Cc4ccc(CCC)cc4)c(F)c3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.32
P2RY14 Q15391 2/20 0.31
SPHK1 Q9NYA1 2/20 0.31
CYP2C9 P11712 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
SCHEMBL6142071 0.92 MAOA (0.36) ACACB
SCHEMBL7851928 0.91 ACACB (0.34) ACACB
SCHEMBL6142221 0.90 ACACB (0.33) ACACB
SCHEMBL6142274 0.90 SPHK1 (0.37) ACACBSPHK1CYP2C9
SCHEMBL6142119 0.89 ACACB (0.32) ACACB
SCHEMBL6142075 0.88 P2RY14 (0.33) P2RY14
SCHEMBL6142073 0.87 SPHK1 (0.39) ACACBSPHK1CYP2C9
SCHEMBL6141825 0.86 SPHK1 (0.39) ACACBSPHK1CYP2C9
SCHEMBL6142070 0.85 SPHK1 (0.35) ACACBSPHK1
SCHEMBL6142054 0.84 MAOB (0.36)

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