SCHEMBL15744849

SCHEMBL15744849

CCCCCC1COC(c2ccc(C(=O)Oc3ccc(-c4cc(F)c(C(F)(F)OC(F)(F)F)c(F)c4)c(F)c3)cc2)OC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
RARB P10826 1/20 0.31
PTGS2 P35354 6/20 0.30
FAAH O00519 4/20 0.30
GRM2 Q14416 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
SCHEMBL12626589 0.92 MEN1 (0.31) PRSS1ACRMEN1MAPTKMT2A
SCHEMBL15744480 0.88 PRSS1 (0.33) PRSS1ACRMEN1MAPTKMT2A
SCHEMBL15745114 0.85 THRB (0.35) PRSS1ACRMAPT
SCHEMBL15744521 0.83
SCHEMBL12626378 0.82 SCN9A (0.37) GRM2
SCHEMBL12626592 0.80 CYP2C9 (0.36) PRSS1ACRMEN1MAPTKMT2A
SCHEMBL12626381 0.80 GRM2 (0.35) GRM2
SCHEMBL12626364 0.80 GRM2 (0.33) GRM2
SCHEMBL15745049 0.80 GRM2 (0.33) GRM2
SCHEMBL12625247 0.80 GRM2 (0.33) GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed