SCHEMBL8046409

SCHEMBL8046409

CC#CCc1ccc(C#Cc2ccc(CCCCC)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.42
FFAR4 Q5NUL3 13/20 0.42
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSPO P30536 1/20 0.35
DRD3 P35462 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL8039126 0.91 FFAR1 (0.45) FFAR1FFAR4TSPODRD3
SCHEMBL8029484 0.90 FFAR1 (0.42) FFAR1FFAR4TSHRMEN1TP53
SCHEMBL7859857 0.88 FFAR1 (0.47) FFAR1FFAR4TSHRMEN1TP53
SCHEMBL7858620 0.87 FFAR1 (0.51) FFAR1FFAR4TSHRMEN1TP53
SCHEMBL7858987 0.86 FFAR1 (0.46) FFAR1FFAR4TSHRMEN1TP53
SCHEMBL7851537 0.86 HSD17B10 (0.48) FFAR1FFAR4TSHRMEN1TP53
SCHEMBL7858606 0.86 HSD17B10 (0.48) FFAR1FFAR4TSHRMEN1TP53
SCHEMBL7851708 0.86 FFAR1 (0.46) FFAR1FFAR4TSHRMEN1TP53
SCHEMBL7861676 0.86 HSD17B10 (0.48) FFAR1FFAR4TSHRMEN1TP53
SCHEMBL7859858 0.86 HSD17B10 (0.48) FFAR1FFAR4TSHRMEN1TP53

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