SCHEMBL6142116

SCHEMBL6142116

C=CCCc1ccc([C@H]2CC[C@H](c3ccc(C#Cc4ccc(CCC)cc4)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
ACACB O00763 4/20 0.41
SPHK2 Q9NRA0 7/20 0.38

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
SCHEMBL6142073 0.90 SPHK1 (0.39) SPHK1ACACBSPHK2
SCHEMBL7861973 0.90 CYP2C9 (0.47) SPHK1ACACBSPHK2
SCHEMBL6141754 0.89 FFAR1 (0.42) SPHK1ACACBSPHK2
SCHEMBL6141825 0.89 SPHK1 (0.39) SPHK1ACACBSPHK2
SCHEMBL6142070 0.89 SPHK1 (0.35) SPHK1ACACBSPHK2
SCHEMBL6142257 0.87 ACACB (0.46) SPHK1ACACB
SCHEMBL6142015 0.87 ACACB (0.44) ACACB
SCHEMBL7860167 0.87 ACACB (0.44) ACACB
SCHEMBL6142274 0.86 SPHK1 (0.37) SPHK1ACACBSPHK2
SCHEMBL7861911 0.86 SPHK1 (0.45) SPHK1SPHK2

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