SCHEMBL20006662

SCHEMBL20006662

Fc1cc(-c2ccccc2)ccc1C#Cc1cc(F)c(C(F)(F)Oc2cc(F)c(F)c(F)c2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
HAO1 Q9UJM8 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CHRM5 P08912 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN9 P43378 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN11 Q06124 1/20 0.30
PTPN22 Q9Y2R2 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
SCHEMBL18747032 0.87 CYP11B1 (0.39) CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL18746551 0.85 RARB (0.40) CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL18747004 0.85 RARB (0.31) FFAR1FFAR4
SCHEMBL18747258 0.85 MAOB (0.34)
SCHEMBL18747006 0.83 RARB (0.36) FFAR1FFAR4
SCHEMBL18746622 0.83 FFAR1 (0.30) FFAR1FFAR4
SCHEMBL18746621 0.82 RARB (0.40)
SCHEMBL18746818 0.82 CYP11B1 (0.37) CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL18455346 0.82 AKR1C2 (0.35) CYP11B2CHRM5PTPN1
SCHEMBL18747246 0.82 RARB (0.42) CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed