SCHEMBL15744317

SCHEMBL15744317

CCC1CCC(C(F)(F)Oc2ccc(C(F)(F)OC(F)(F)F)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
TSHR P16473 1/20 0.31
EPHX2 P34913 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
SCHEMBL15744472 0.85
SCHEMBL18032043 0.79 MAOB (0.33) SLC6A4
SCHEMBL15744955 0.78
SCHEMBL15744822 0.76
SCHEMBL18032085 0.75 SLC6A4 (0.36) CCR6KCNH2SLC6A4SLC6A3KDM1A
SCHEMBL15744465 0.75 GRM2 (0.37)
SCHEMBL15745189 0.75
SCHEMBL15460736 0.74 SCN9A (0.30)
SCHEMBL7730711 0.73 KDM1A (0.42) CCR6KCNH2SLC6A4SLC6A3KDM1A
SCHEMBL7730716 0.73 KDM1A (0.42) CCR6KCNH2SLC6A4SLC6A3KDM1A

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