SCHEMBL13110474

SCHEMBL13110474

CCCC1CCC(c2ccc(-c3ccc(C)c(F)c3Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 8/20 0.38
DGAT1 O75907 4/20 0.35
SOAT1 P35610 1/20 0.35
ESR1 P03372 6/20 0.33
CYP3A4 P08684 3/20 0.33
DRD2 P14416 1/20 0.33
CYP2D6 P10635 1/20 0.31
APP P05067 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
SCHEMBL13235444 0.90 DGAT1 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL16803049 0.88 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17614857 0.87 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17621121 0.85 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13235443 0.84 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12369745 0.83 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL802767 0.83 ESR2 (0.42) CYP2C9ESR2DGAT1CYP3A4CYP2D6
SCHEMBL13126273 0.82 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL16979159 0.82 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13235455 0.82 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1

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-7820072-B2 Liquid crystalline medium and method for manufacturing liquid crystal display panel A U OPTRONICS CORP. (TW) 2010-10-26 US disclosed
US-20080236727-A1 Liquid crystalline medium and method for manufacturing liquid crystal display panel AU OPTRONICS CORP. (TW) 2008-10-02 US disclosed