SCHEMBL8046322

SCHEMBL8046322

CC#CCC1CCC(c2ccc(C#Cc3ccc(CCC)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.37
FFAR4 Q5NUL3 10/20 0.37
CYP2C9 P11712 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
SCHEMBL8039315 0.93 SPHK1 (0.36) FFAR1FFAR4
SCHEMBL8029283 0.91 FFAR1 (0.37) FFAR1FFAR4CYP2C9
SCHEMBL8041025 0.90 FFAR1 (0.36) FFAR1FFAR4CYP2C9
SCHEMBL8042686 0.88 FFAR1 (0.35) FFAR1FFAR4
SCHEMBL8046293 0.88 FFAR1 (0.34) FFAR1FFAR4CYP2C9
SCHEMBL8039835 0.84 SPHK1 (0.36) FFAR1FFAR4
SCHEMBL8029366 0.84 FASN (0.31) FFAR1FFAR4CYP2C9
SCHEMBL8039877 0.82 ESR2 (0.33) CYP2C9
SCHEMBL8046325 0.82 SPHK1 (0.41)
SCHEMBL8042621 0.79 FFAR1 (0.34) FFAR1FFAR4CYP2C9

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