SCHEMBL15744941

SCHEMBL15744941

CCCc1ccc2cc(-c3ccc(C(F)(F)Oc4ccc(-c5ccc(C(F)(F)OC(F)(F)F)cc5)cc4)cc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
SERPINE1 P05121 2/20 0.35
CYP17A1 P05093 1/20 0.33
CHRNA7 P36544 1/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PHKG2 P15735 1/20 0.32
RPS6KB1 P23443 1/20 0.32
MARK3 P27448 1/20 0.32
PRKCI P41743 1/20 0.32
CLK2 P49760 1/20 0.32
IRAK1 P51617 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PRKCD Q05655 1/20 0.32
MAP4K2 Q12851 1/20 0.32

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
SCHEMBL15745014 1.00 HRH3 (0.37) HRH3SERPINE1CYP17A1CHRNA7PPARG
SCHEMBL15744952 0.90 SERPINE1 (0.33) HRH3SERPINE1
SCHEMBL15745164 0.87 HRH3 (0.34) HRH3SERPINE1
SCHEMBL15744836 0.86 HRH3 (0.33) HRH3SERPINE1
SCHEMBL3158383 0.85 TSHR (0.42) HRH3SERPINE1CYP17A1CHRNA7JAK2
SCHEMBL3158489 0.85 TSHR (0.42) HRH3SERPINE1CYP17A1CHRNA7JAK2
SCHEMBL15745053 0.83 GRM2 (0.35) HRH3
SCHEMBL5684335 0.81 GSK3B (0.42) HRH3SERPINE1CHRNA7JAK2ROCK2
SCHEMBL15744915 0.81 MAOB (0.34) SERPINE1PPARGPPARDPPARAMCL1
SCHEMBL15744360 0.81 MAOB (0.34) SERPINE1PPARGPPARDPPARA

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