SCHEMBL8029353

SCHEMBL8029353

CCC#CCc1ccc(C#Cc2ccc(-c3ccc(CCC)c(F)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.36
FFAR4 Q5NUL3 10/20 0.36
RARB P10826 3/20 0.35
RARA P10276 2/20 0.35
RARG P13631 1/20 0.35
ACACB O00763 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL8039893 0.91 FFAR1 (0.45) FFAR1FFAR4ACACB
SCHEMBL9333998 0.88 FFAR1 (0.38) FFAR1FFAR4RARBRARARARG
SCHEMBL9333968 0.83 CYP1A1 (0.44) FFAR1FFAR4RARBRARARARG
SCHEMBL8029484 0.82 FFAR1 (0.42) FFAR1FFAR4TSHRHSD17B10ALOX5
SCHEMBL8029188 0.81 ACACB (0.46) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL8039280 0.81 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL8039126 0.80 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL8039120 0.79 ACACB (0.38) FFAR1FFAR4RARBRARARARG
SCHEMBL8041472 0.79 FFAR1 (0.42) FFAR1FFAR4
SCHEMBL9399833 0.78 RARB (0.48) RARBRARARARGHSD17B10ALOX5

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