SCHEMBL15744956

SCHEMBL15744956

CCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4cc(F)c(C(F)(F)OC(F)(F)F)c(F)c4)cc3)cc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.44
THRB P10828 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MCHR1 Q99705 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15744318 0.92 FASN (0.40) FASNCYP2C9MAPTALDH1A1LMNA
SCHEMBL15744989 0.91 FASN (0.38) FASNCYP2C9MAPTALDH1A1LMNA
SCHEMBL15745114 0.89 THRB (0.35) FASNTHRBCYP2C9MAPTMCHR1
SCHEMBL15744407 0.89 FASN (0.48) FASNTHRBCYP2C9MAPTALDH1A1
SCHEMBL15744309 0.89 FASN (0.42) FASN
SCHEMBL15745168 0.89 FASN (0.42) FASN
SCHEMBL15744355 0.86 FASN (0.41) FASN
SCHEMBL15744570 0.85 FASN (0.40) FASN
SCHEMBL15744367 0.85 FASN (0.37) FASN
SCHEMBL15744936 0.83 CYP2C9 (0.47) THRBCYP2C9MAPTALDH1A1LMNA

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