SCHEMBL15744609

SCHEMBL15744609

CCCC1CCC(C2CCC(C(=O)OC3CCC(c4cc(F)c(C(F)(F)OC(F)(F)F)c(F)c4)CC3)CC2)OC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL15744988 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15744482 0.90 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15744343 0.89 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15744311 0.85
SCHEMBL15744478 0.81 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15745208 0.80 FASN (0.31)
SCHEMBL18310551 0.80 NPC1 (0.33) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15745132 0.80
SCHEMBL15744969 0.80 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15744800 0.80 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPT

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-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
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP disclosed