SCHEMBL14079683

SCHEMBL14079683

O=Cc1ccc2c(c1)OC(C1CCC(C3CCCCC3)CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.46
CHRNA7 P36544 2/20 0.39
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL14070963 0.79 STS (0.46) STSCHRNA7ESR1ESR2
SCHEMBL14079476 0.79 STS (0.46) STSCHRNA7ESR1ESR2HPGD
SCHEMBL14070970 0.76 STS (0.43) STSCHRNA7
SCHEMBL14070937 0.76 STS (0.48) STSCHRNA7ESR1ESR2HPGD
SCHEMBL14070908 0.76 STS (0.48) STSCHRNA7ESR1ESR2
SCHEMBL19889444 0.74 ALDH1A1 (0.42) CHRNA7ALDH1A1HSD17B10TDP1ESR1
SCHEMBL14070985 0.74 STS (0.50) STSCHRNA7
SCHEMBL14079590 0.72 STS (0.45) STSCHRNA7ESR1ESR2
SCHEMBL14070947 0.72 STS (0.45) STSCHRNA7ESR1ESR2
SCHEMBL14070936 0.72 STS (0.45) STSCHRNA7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed