SCHEMBL13874966

SCHEMBL13874966

Cc1cccc(/C=C/c2ccc(/C=C/c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.84
▸ RELA Q04206 1/20 0.56
▸ FBP1 P09467 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA7 P36544 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ ALOX5 P09917 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ PTGES2 Q9H7Z7 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ P4HB P07237 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46

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
SCHEMBL30632949 0.91 NFE2L2 (0.70) NFE2L2RELAFBP1ALOX5PTGS1
SCHEMBL22398154 0.91 NFE2L2 (0.70) NFE2L2RELAFBP1ALOX5PTGS1
SCHEMBL22398153 0.91 NFE2L2 (0.70) NFE2L2RELAFBP1ALOX5PTGS1
SCHEMBL17083047 0.91 NFE2L2 (1.00) NFE2L2FBP1HTTCHRNB2CHRNB4
SCHEMBL13790316 0.89 NFE2L2 (0.82) NFE2L2FBP1CHRNB2CHRNB4CHRNA3
SCHEMBL5496405 0.83 NFE2L2 (0.73) NFE2L2FBP1CHRNB2CHRNB4CHRNA3
SCHEMBL3904046 0.83 NFE2L2 (0.73) NFE2L2FBP1CHRNB2CHRNB4CHRNA3
SCHEMBL29673932 0.83 RELA (0.74) NFE2L2RELAFBP1ALOX5PTGS1
SCHEMBL1179749 0.83 RELA (0.74) NFE2L2RELAFBP1ALOX5PTGS1
SCHEMBL1179750 0.83 RELA (0.74) NFE2L2RELAFBP1ALOX5PTGS1

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
US-7521710-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2009-04-21 — — US disclosed
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