SCHEMBL8046400

SCHEMBL8046400

CC#CCc1ccc(C#Cc2ccc(CCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.45
FFAR1 O14842 6/20 0.40
FFAR4 Q5NUL3 3/20 0.40
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CA2 P00918 1/20 0.36

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
SCHEMBL8042641 0.95 TSHR (0.42) ACACBFFAR1FFAR4LPLLIPG
SCHEMBL8039346 0.87 HSD17B10 (0.50) FFAR1FFAR4LPLLIPGCA2
SCHEMBL8029213 0.87 ACACB (0.44) ACACBFFAR1FFAR4LPLLIPG
SCHEMBL8041203 0.86 HSD17B10 (0.53) FFAR1FFAR4LPLLIPG
SCHEMBL9335728 0.86 ACACB (0.49) ACACBFFAR1FFAR4LPLLIPG
SCHEMBL8141107 0.85 ACACB (0.54) ACACBFFAR1FFAR4LPLLIPG
SCHEMBL9328434 0.85 ACACB (0.54) ACACBFFAR1FFAR4LPLLIPG
SCHEMBL8046404 0.85 ACACB (0.49) ACACBFFAR1FFAR4LPLLIPG
SCHEMBL8029405 0.84 CYP2A6 (0.48) ACACBFFAR1FFAR4LPLLIPG
SCHEMBL9511319 0.83 ACACB (0.53) ACACBFFAR1FFAR4LPLLIPG

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-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed