SCHEMBL14070936

SCHEMBL14070936

FC(F)(F)c1ccc2c(c1)OC(C1CCCCC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.45
CHRNA7 P36544 2/20 0.40
FFAR1 O14842 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34

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
SCHEMBL14070970 0.97 STS (0.43) STSCHRNA7FFAR1HDAC3HDAC1
SCHEMBL2096270 0.84 STS (0.49) STSFFAR1HDAC3HDAC1HDAC7
SCHEMBL14070908 0.81 STS (0.48) STSCHRNA7FFAR1HTR2AHTR2C
SCHEMBL14070932 0.81 STS (0.52) STSCHRNA7FFAR1
SCHEMBL14070985 0.79 STS (0.50) STSCHRNA7FFAR1
SCHEMBL14070963 0.78 STS (0.46) STSCHRNA7FFAR1HTR2AHTR2C
SCHEMBL14070937 0.78 STS (0.48) STSCHRNA7
SCHEMBL28802770 0.77 TRPV1 (0.39) TRPV1HTR2AHTR2CHTR2B
SCHEMBL14070947 0.77 STS (0.45) STSCHRNA7FFAR1
SCHEMBL14079590 0.77 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 2 patents. 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
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