SCHEMBL5836889

SCHEMBL5836889

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.36
FASN P49327 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP2C9 P11712 3/20 0.31
CYP3A4 P08684 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
APP P05067 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31
PDK2 Q15119 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30
CRHR1 P34998 1/20 0.30
AKR1A1 P14550 1/20 0.30
AKR1B1 P15121 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL5836885 1.00 TRPV3 (0.36) TRPV3FASNPDE3BPDE3ACYP2C9
SCHEMBL11115196 0.91 CYP2C9 (0.36) TRPV3FASNCYP2C9CYP3A4ESR1
SCHEMBL11115194 0.91 CYP2C9 (0.36) TRPV3FASNCYP2C9CYP3A4ESR1
SCHEMBL21609922 0.89 TRPV3 (0.32) TRPV3FASNCYP2C9CYP3A4APP
SCHEMBL9319289 0.85 TRPV3 (0.32) TRPV3FASN
SCHEMBL9249628 0.84 ESR2 (0.38) TRPV3CYP2C9CYP3A4ESR1ESR2
SCHEMBL9249625 0.84 ESR2 (0.38) TRPV3CYP2C9CYP3A4ESR1ESR2
SCHEMBL8467336 0.83 HTR2A (0.40) TRPV3CYP2C9CYP3A4ESR1ESR2
SCHEMBL29097485 0.83 FASN (0.37) TRPV3FASNCYP2C9CYP3A4ESR1
SCHEMBL30665735 0.83 FASN (0.37) TRPV3FASNCYP2C9CYP3A4ESR1

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-7045176-B2 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-05-16 US disclosed