SCHEMBL18458554

SCHEMBL18458554

OC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.37
APP P05067 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
P2RY14 Q15391 2/20 0.31
DHODH Q02127 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL17147788 0.89 CYP3A4 (0.33) APPCYP3A4CYP2C9
SCHEMBL16978420 0.89 CYP3A4 (0.36) APPCYP3A4CYP2C9
SCHEMBL16186367 0.89 CYP3A4 (0.36) APPCYP3A4CYP2C9
SCHEMBL16546479 0.89 CYP3A4 (0.33) APPCYP3A4CYP2C9
SCHEMBL10027435 0.88 ESR2 (0.36) ESR2
SCHEMBL20003619 0.88
SCHEMBL21019055 0.88 CYP3A4 (0.37) APPCYP3A4CYP2C9KCNH2HRH3
SCHEMBL17070200 0.88 CYP3A4 (0.37) APPCYP3A4CYP2C9KCNH2HRH3
SCHEMBL12626179 0.88 APP (0.35) ESR2APPCYP3A4CYP2C9
SCHEMBL19711827 0.87 PDK2 (0.34) ESR2APPCYP3A4CYP2C9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355906-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-12-14 US disclosed
US-9828549-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-11-28 US disclosed
US-9822304-B2 Liquid crystal composition and liquid crystal display element containing the same DIC CORPORATION (JP) 2017-11-21 US disclosed
US-20170210986-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2017-07-27 US disclosed
EP-2806010-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2017-07-26 EP disclosed
US-9688913-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-06-27 US disclosed
US-9650572-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-05-16 US disclosed
US-9580654-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2017-02-28 US disclosed
US-20170029700-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-02-02 US disclosed