SCHEMBL16258100

SCHEMBL16258100

Cc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
PTGS2 P35354 3/20 0.41
NOTUM Q6P988 1/20 0.40
PTGS1 P23219 1/20 0.40
DHODH Q02127 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ACHE P22303 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
RPS6KA3 P51812 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL14002519 1.00 NFE2L2 (0.47) NFE2L2PTGS2NOTUMPTGS1DHODH
SCHEMBL10014272 0.89 NFE2L2 (0.48) NFE2L2PTGS2NOTUMPTGS1DHODH
SCHEMBL17942997 0.89 ACHE (0.42) NFE2L2PTGS2PTGS1DHODHCYP11B1
SCHEMBL18854263 0.87 NFE2L2 (0.41) NFE2L2PTGS2NOTUMPTGS1DHODH
SCHEMBL16258105 0.87 NFE2L2 (0.54) NFE2L2PTGS2NOTUMPTGS1CYP11B1
SCHEMBL12011026 0.87 NFE2L2 (0.54) NFE2L2PTGS2NOTUMPTGS1CYP11B1
SCHEMBL265481 0.87 NFE2L2 (0.54) NFE2L2PTGS2NOTUMPTGS1CYP11B1
SCHEMBL14365641 0.86 NISCH (0.45) PTGS2PTGS1AKR1C3AKR1C2ACHE
SCHEMBL16258104 0.85 KDM4E (0.40) NFE2L2PTGS2PTGS1DHODHCYP11B1
SCHEMBL16258066 0.85 KDM4E (0.40) NFE2L2PTGS2PTGS1DHODHCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344211-B2 Liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2019-07-09 US disclosed
US-20170355906-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-12-14 US disclosed
US-20170029700-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
EP-2806011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC Corporation (JP) 2014-11-26 EP disclosed