SCHEMBL13636578

SCHEMBL13636578

C/C=C/c1ccc(-c2c(F)cc(-c3ccc(C)cc3)cc2F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.45
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RPS6KA3 P51812 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
AR P10275 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
SCHEMBL13636575 0.90 NFE2L2 (0.50) NFE2L2PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL12976579 0.83 NFE2L2 (0.42) NFE2L2PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL13636716 0.83 NFE2L2 (0.44) NFE2L2PTGS2PTGS1RPS6KA3AR
SCHEMBL25686111 0.79 NFE2L2 (0.56) NFE2L2PTGS2PTGS1KDM4ECYP1A1
SCHEMBL13535962 0.79 NFE2L2 (0.56) NFE2L2PTGS2PTGS1KDM4ECYP1A1
SCHEMBL17942997 0.78 ACHE (0.42) NFE2L2PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL16258100 0.77 NFE2L2 (0.47) NFE2L2PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL14002519 0.77 NFE2L2 (0.47) NFE2L2PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL14365641 0.75 NISCH (0.45) PTGS2PTGS1RPS6KA3KDM4EMEN1
SCHEMBL14365638 0.75 ACHE (0.39) NFE2L2PTGS2PTGS1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP disclosed