SCHEMBL8029216

SCHEMBL8029216

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.53
MCHR1 Q99705 4/20 0.50
MAOB P27338 2/20 0.46
ACACB O00763 3/20 0.43
KCNH2 Q12809 2/20 0.42
IDO1 P14902 1/20 0.40
ESR2 Q92731 1/20 0.40
FFAR1 O14842 2/20 0.40

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
SCHEMBL8046443 0.95 APP (0.58) APPMCHR1MAOBACACBKCNH2
SCHEMBL8046338 0.85 MCHR1 (0.52) APPMCHR1MAOBACACBKCNH2
SCHEMBL8029625 0.83 ACACB (0.50) MCHR1ACACB
SCHEMBL8046362 0.83 MCHR1 (0.50) APPMCHR1MAOBACACBKCNH2
SCHEMBL8040160 0.81 CYP2A6 (0.44) MCHR1ACACBKCNH2FFAR1
SCHEMBL8039885 0.81 FFAR1 (0.45) ACACBKCNH2FFAR1
SCHEMBL8040194 0.80 MCHR1 (0.48) APPMCHR1MAOBACACBKCNH2
SCHEMBL8046370 0.80 APP (0.53) APPMCHR1MAOBACACBKCNH2
SCHEMBL19608734 0.80 APP (0.61) APPMCHR1MAOBKCNH2ESR2
SCHEMBL8042641 0.78 TSHR (0.42) ACACBFFAR1

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