SCHEMBL6142124

SCHEMBL6142124

C=CCCc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(CCC)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACACB O00763 5/20 0.41
THRB P10828 2/20 0.40
MCL1 Q07820 1/20 0.36
FFAR1 O14842 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL7858870 1.00 TSHR (0.41) TSHRHSD17B10ACACBTHRBMCL1
SCHEMBL7860167 0.95 ACACB (0.44) ACACBTHRBFFAR1LPLLIPG
SCHEMBL20058177 0.89 THRB (0.47) TSHRHSD17B10THRBMCL1HRH3
SCHEMBL7858804 0.87 FFAR1 (0.49) TSHRHSD17B10ACACBFFAR1NPC1
SCHEMBL6142146 0.87 FFAR1 (0.49) TSHRHSD17B10ACACBFFAR1NPC1
SCHEMBL6142227 0.87 ACACB (0.34) TSHRHSD17B10ACACBTHRBMCL1
SCHEMBL7857840 0.87 ACACB (0.34) TSHRHSD17B10ACACBTHRBMCL1
SCHEMBL6142325 0.87 ACACB (0.34) TSHRHSD17B10ACACBTHRBMCL1
SCHEMBL29637029 0.86 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL6142219 0.85 ACACB (0.52) HSD17B10ACACBNPC1MAPTRAB9A

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