SCHEMBL8042893

SCHEMBL8042893

CCCCCC#CCc1ccc(C#Cc2ccc(-c3ccc(CC)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH2 Q12809 6/20 0.40
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
CYP2A6 P11509 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TNK2 Q07912 1/20 0.36
BDKRB2 P30411 2/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL8040007 0.95 TSHR (0.41) FFAR1FFAR4TSHRHSD17B10KCNH2
SCHEMBL8039976 0.90 FFAR1 (0.43) FFAR1FFAR4TSHRHSD17B10KCNH2
SCHEMBL8039093 0.89 KCNH2 (0.49) FFAR1FFAR4TSHRHSD17B10KCNH2
SCHEMBL8041309 0.89 CYP2A6 (0.41) FFAR1FFAR4TSHRHSD17B10KCNH2
SCHEMBL9333085 0.85 FFAR1 (0.49) FFAR1FFAR4TSHRHSD17B10KCNH2
SCHEMBL9335384 0.85 FFAR1 (0.59) FFAR1FFAR4TSHRHSD17B10KCNH2
SCHEMBL8046343 0.84 KCNH2 (0.49) FFAR1FFAR4TSHRHSD17B10KCNH2
SCHEMBL8046345 0.84 KCNH2 (0.52) FFAR1FFAR4HSD17B10KCNH2MMP2
SCHEMBL9335934 0.83 FFAR1 (0.61) FFAR1FFAR4TSHRHSD17B10KCNH2
SCHEMBL9332907 0.83 FFAR1 (0.61) FFAR1FFAR4TSHRHSD17B10KCNH2

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