SCHEMBL21609922

SCHEMBL21609922

CCC1CCC(c2ccc(-c3ccc(C)c(F)c3F)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.32
FASN P49327 1/20 0.32
DGAT1 O75907 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
CYP2C9 P11712 2/20 0.30
ABL1 P00519 1/20 0.30
CYP3A4 P08684 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL21609928 0.90 CYP2C9 (0.42) FASNDGAT1CYP2C9CYP3A4
SCHEMBL5836889 0.89 TRPV3 (0.36) TRPV3FASNCYP2C9CYP3A4APP
SCHEMBL5836885 0.89 TRPV3 (0.36) TRPV3FASNCYP2C9CYP3A4APP
SCHEMBL11115196 0.89 CYP2C9 (0.36) TRPV3FASNCYP2C9CYP3A4APP
SCHEMBL11115194 0.89 CYP2C9 (0.36) TRPV3FASNCYP2C9CYP3A4APP
SCHEMBL9319289 0.85 TRPV3 (0.32) TRPV3FASN
SCHEMBL12075617 0.85 CYP3A4 (0.39) FASNDGAT1CYP2C9ABL1CYP3A4
SCHEMBL13258062 0.85 ESR2 (0.40) FASNCYP2C9CYP3A4APP
SCHEMBL9319285 0.84 TRPA1 (0.32) FASN
SCHEMBL12333967 0.84 SLC6A3 (0.37) TRPV3CYP2C9CYP3A4

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-10519377-B1 Liquid crystal composition of negative monomer containing cyclopentyl cyclohexenyl and liquid crystal display element or liquid crystal display thereof Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-12-31 US disclosed