SCHEMBL20006839

SCHEMBL20006839

COc1cc(-c2ccc(-c3ccccc3F)cc2F)cc(F)c1C#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 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.36
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
CD274 Q9NZQ7 3/20 0.33
HTR2C P28335 1/20 0.32
HDAC6 Q9UBN7 1/20 0.30
PDK2 Q15119 2/20 0.30
PGR P06401 1/20 0.30
AR P10275 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19999604 0.91 ERN1 (0.33) ERN1CD274
SCHEMBL20006840 0.91 ERN1 (0.37) ERN1
SCHEMBL20005253 0.87 ERN1 (0.32) ERN1CD274
SCHEMBL19999606 0.85 RARB (0.33)
SCHEMBL20006717 0.84 TNKS (0.30)
SCHEMBL20006664 0.83 AR (0.31) AR
SCHEMBL19999638 0.83 ERN1 (0.30) ERN1
SCHEMBL20006923 0.82 AKR1C3 (0.30) ALOX5APFEN1
SCHEMBL20006838 0.81 TNKS (0.30)
SCHEMBL20006680 0.81 AR (0.33) ARTDP1L3MBTL1

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