SCHEMBL15744365

SCHEMBL15744365

CCCc1ccc(C(F)(F)Oc2cc(F)c(-c3ccc(C(F)(F)OC(F)(F)F)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
DAO P14920 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15745039 0.88 KIF11 (0.36) KIF11CYP11B1CYP11B2
SCHEMBL15745054 0.87 KIF11 (0.32) KIF11
SCHEMBL15744412 0.87 KIF11 (0.35) KIF11DAONPC1TP53PKM
SCHEMBL15745210 0.87 KIF11 (0.41) KIF11CYP11B1CYP11B2
SCHEMBL15744527 0.86 DAO (0.32) DAO
SCHEMBL15744568 0.85 HDAC1 (0.36) KIF11NPC1TP53PKMRAB9A
SCHEMBL15744410 0.85 KIF11 (0.40) KIF11CYP11B1CYP11B2NPC1TP53
SCHEMBL15744566 0.85 KIF11 (0.39) KIF11CYP11B1CYP11B2
SCHEMBL15744826 0.85 KIF11 (0.39) KIF11CYP11B1CYP11B2
SCHEMBL15744917 0.84 KIF11 (0.39) 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 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