SCHEMBL15744330

SCHEMBL15744330

CCCCOc1ccc2c(F)c(-c3ccc(C(F)(F)OC(F)(F)F)c(F)c3)c(F)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1A P35813 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
MCL1 Q07820 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PDK2 Q15119 2/20 0.31
CASR P41180 1/20 0.31
CYP2D6 P10635 3/20 0.31
CYP3A4 P08684 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PPARD Q03181 1/20 0.31
CYP1A2 P05177 3/20 0.30
CYP19A1 P11511 3/20 0.30
CYP2C9 P11712 3/20 0.30
CYP2C19 P33261 3/20 0.30
FFAR1 O14842 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
SCHEMBL15744342 0.95 MCL1 (0.35) PPM1ARARARARBMCL1PDK2
SCHEMBL15745166 0.78
SCHEMBL15744240 0.73 FFAR1 (0.36) PPARDFFAR1
SCHEMBL15744417 0.71
SCHEMBL15744388 0.71 MPL (0.31)
SCHEMBL7920156 0.70 MEN1 (0.43) RARARARBCYP3A4
SCHEMBL15744905 0.70
SCHEMBL15745000 0.69 ALOX5AP (0.32) PPARDFFAR1
SCHEMBL15744410 0.69 KIF11 (0.40) RARARARBMCL1CYP11B1CYP11B2
SCHEMBL15744928 0.68

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