SCHEMBL17740486

SCHEMBL17740486

CCCC1CCC(c2cc(F)c(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GRM2 Q14416 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 1/20 0.31
FASN P49327 1/20 0.31
USP14 P54578 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
CHRM5 P08912 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
SCHEMBL17740487 0.94 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTNPSR1
SCHEMBL17740482 0.91 GRM2 (0.32) NPSR1L3MBTL1GRM2TSHRTDP1
SCHEMBL8005534 0.89 PARP10 (0.37) CYP2C9ALDH1A1
SCHEMBL15248799 0.87 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8027988 0.86 PARP10 (0.35) ALDH1A1
SCHEMBL12977301 0.86 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8027986 0.86 PARP10 (0.35) ALDH1A1
SCHEMBL91899 0.85 ESR2 (0.31) ALDH1A1NPSR1TSHRUSP14
SCHEMBL5580486 0.85 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8132163 0.85 CYP2C9 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011773-B2 Liquid crystal display device DIC CORPORATION (JP) 2018-07-03 US disclosed
US-9809752-B2 Liquid crystal display device DIC CORPORATION (JP) 2017-11-07 US disclosed
US-20160215217-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-07-28 US disclosed
US-20160215217-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-07-28 US disclosed
US-20160130502-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-05-12 US disclosed