SCHEMBL15745210

SCHEMBL15745210

CCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(C(F)(F)OC(F)(F)F)c(F)c5)c(F)c4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
RARB P10826 3/20 0.36
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
MCL1 Q07820 1/20 0.33
GRM2 Q14416 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL16215315 0.91 KIF11 (0.42) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL15745183 0.91 KIF11 (0.35) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL15744826 0.91 KIF11 (0.39) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL15744566 0.91 KIF11 (0.39) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL16186368 0.90 KIF11 (0.43) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL15745074 0.90 KIF11 (0.39) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL15744917 0.90 KIF11 (0.39) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL14227481 0.88 KIF11 (0.43) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL19711845 0.87 KIF11 (0.40) KIF11CYP11B1CYP11B2RARBRARA
SCHEMBL15744365 0.87 KIF11 (0.35) KIF11CYP11B1CYP11B2

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