SCHEMBL6142227

SCHEMBL6142227

C=CCCc1cc(F)c(C#Cc2ccc(-c3ccc(C#Cc4ccc(CCC)cc4)cc3)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 2/20 0.32
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 1/20 0.32
FFAR1 O14842 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL6142065 0.98 ACACB (0.33) ACACBHSD17B10TSHRTHRBRARB
SCHEMBL7860156 0.96 ACACB (0.36) ACACBTHRBFFAR1
SCHEMBL7857840 0.95 ACACB (0.34) ACACBHSD17B10TSHRTHRBRARB
SCHEMBL6142325 0.95 ACACB (0.34) ACACBHSD17B10TSHRTHRBRARB
SCHEMBL8755101 0.91 CYP2A6 (0.32) ACACB
SCHEMBL8755553 0.89 ACACB (0.40) ACACBHSD17B10TSHRRARBRARA
SCHEMBL6141748 0.87 FFAR1 (0.35) FFAR1
SCHEMBL6142124 0.87 TSHR (0.41) ACACBHSD17B10TSHRTHRBNPC1
SCHEMBL7858870 0.87 TSHR (0.41) ACACBHSD17B10TSHRTHRBNPC1
SCHEMBL7851984 0.85 FFAR1 (0.39) ACACBFFAR1

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