SCHEMBL6142015

SCHEMBL6142015

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

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.44
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7858861 0.92 FFAR1 (0.41) ACACB
SCHEMBL6142257 0.90 ACACB (0.46) ACACBALDH1A1
SCHEMBL7860067 0.88 ACACB (0.54) ACACB
SCHEMBL6142116 0.87 SPHK1 (0.43) ACACB
SCHEMBL6141690 0.85 ACACB (0.41) ACACBALDH1A1
SCHEMBL6141754 0.84 FFAR1 (0.42) ACACB
SCHEMBL6142102 0.84 ACACB (0.50) ACACB
SCHEMBL7859035 0.84 ACACB (0.50) ACACB
SCHEMBL6142074 0.84 ACACB (0.41) ACACBALDH1A1
SCHEMBL6141675 0.83 FFAR1 (0.39) ACACBALDH1A1

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