SCHEMBL8046345

SCHEMBL8046345

CCCCCC#CCc1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.52
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
TNK2 Q07912 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL8039093 0.95 KCNH2 (0.49) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL8046363 0.95 KCNH2 (0.53) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL8046343 0.90 KCNH2 (0.49) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL8042902 0.88 KCNH2 (0.47) KCNH2FFAR1ALDH1A1MAPTACACB
SCHEMBL8040080 0.84 KCNH2 (0.41) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL8042893 0.84 FFAR1 (0.46) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL8046478 0.83 KCNH2 (0.40) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL8041073 0.83 KCNH2 (0.44) KCNH2FFAR1ALDH1A1MAPTHSD17B10
SCHEMBL8039976 0.83 FFAR1 (0.43) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL5886550 0.82 KCNH2 (0.59) KCNH2FFAR1FFAR4MMP2MMP12

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