SCHEMBL15744604

SCHEMBL15744604

CCC1CCC(c2ccc(-c3ccc(C(F)(F)Oc4ccc(C(F)(F)OC(F)(F)F)c(F)c4)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KIF11 P52732 2/20 0.30
DHODH Q02127 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
SCHEMBL15744290 0.85 CYP2C9 (0.41) CYP11B1CYP11B2KIF11
SCHEMBL15745211 0.83 DGAT1 (0.31)
SCHEMBL15461037 0.83
SCHEMBL15745057 0.83 CYP2C9 (0.34)
SCHEMBL15744452 0.82 CYP2C9 (0.35)
SCHEMBL7731628 0.82 KDM1A (0.38)
SCHEMBL7731634 0.82 KDM1A (0.38)
SCHEMBL7735095 0.80 KDM1A (0.36) CYP11B1CYP11B2KIF11
SCHEMBL7735093 0.80 KDM1A (0.36) CYP11B1CYP11B2KIF11
SCHEMBL7731576 0.79 KDM1A (0.32)

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