SCHEMBL8046401

SCHEMBL8046401

CC#CCCC1CCC(c2ccc(C#Cc3ccc(OC)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.42
DRD2 P14416 1/20 0.40
GRM3 Q14832 4/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ACACB O00763 1/20 0.36
USP30 Q70CQ3 2/20 0.35
ESR2 Q92731 1/20 0.35
GRM2 Q14416 1/20 0.35
KCNH2 Q12809 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
SCHEMBL8039152 0.87 APP (0.44) APPDRD2GRM3CHRM2CHRM1
SCHEMBL13621706 0.84 DRD2 (0.50) APPDRD2GRM3ACACBESR2
SCHEMBL5343187 0.84 DRD2 (0.50) APPDRD2GRM3ACACBESR2
SCHEMBL9509006 0.82 DRD2 (0.48) APPDRD2GRM3ESR2
SCHEMBL8040016 0.81 DRD2 (0.43) APPDRD2GRM3CHRM2CHRM1
SCHEMBL9512333 0.81 DRD2 (0.49) APPDRD2GRM3ACACBGRM2
SCHEMBL9509299 0.81 DRD2 (0.47) APPDRD2GRM3
SCHEMBL9508804 0.81 DRD2 (0.47) APPDRD2GRM3GRM2
SCHEMBL26347319 0.81 DRD2 (0.47) APPDRD2GRM3GRM2
SCHEMBL9511758 0.80 DRD2 (0.46) APPDRD2GRM2

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