SCHEMBL6465417

SCHEMBL6465417

CCCc1c(O)cc(/C=C/c2ccccc2F)cc1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 12/20 0.51
RELA Q04206 1/20 0.44
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
MAOB P27338 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNA3 P22001 1/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL6465420 1.00 NFE2L2 (0.51) NFE2L2RELAABL1ABCB1BCR
SCHEMBL918502 1.00 NFE2L2 (0.51) NFE2L2RELAABL1ABCB1BCR
SCHEMBL6471008 0.84 PTGS1 (0.58) NFE2L2PTGS1PTGS2
SCHEMBL6450459 0.84 PTGS1 (0.58) NFE2L2PTGS1PTGS2
SCHEMBL919180 0.84 PTGS1 (0.58) NFE2L2PTGS1PTGS2
SCHEMBL919014 0.84 NFE2L2 (0.46) NFE2L2MAOBPTGS1PTGS2KDM4E
SCHEMBL6468960 0.81 AHR (0.54) RELAMAOBPTGS1PTGS2KDM4E
SCHEMBL6468964 0.81 AHR (0.54) RELAMAOBPTGS1PTGS2KDM4E
SCHEMBL918449 0.81 AHR (0.54) RELAMAOBPTGS1PTGS2KDM4E
SCHEMBL25193990 0.81 AHR (0.47) NFE2L2MAOBPTGS1PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554236-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS Welichem Biotech Inc. (CA) 2005-07-20 EP claimed
WO-2004031117-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS WELICHEM BIOTECH INC. (CA) 2004-04-15 WO claimed
EP-1554236-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS Welichem Biotech Inc. (CA) 2005-07-20 EP disclosed
WO-2004031117-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS WELICHEM BIOTECH INC. (CA) 2004-04-15 WO disclosed