SCHEMBL17826525

SCHEMBL17826525

CCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

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
CYP3A4 P08684 4/20 0.42
APP P05067 2/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ESR2 Q92731 3/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
DGAT1 O75907 2/20 0.35
SOAT1 P35610 1/20 0.35
CHRM4 P08173 1/20 0.35
FASN P49327 1/20 0.34
P2RY14 Q15391 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL17616202 1.00 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL21902209 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13471462 0.93 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17465561 0.92 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL16574934 0.92 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17189783 0.92 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20118299 0.90 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19499712 0.90 CYP3A4 (0.41) CYP2C9ALDH1A1CYP3A4APPCYP2D6
SCHEMBL19850830 0.89 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17190572 0.89 CYP2C9 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365773-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2016-06-14 US disclosed