SCHEMBL6453082

SCHEMBL6453082

CCCc1c(OC)cc(/C=C/c2ccc(F)cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.61
NQO2 P16083 1/20 0.54
TUBB1 Q9H4B7 6/20 0.49
TUBB4A P04350 4/20 0.48
TUBB P07437 4/20 0.48
TUBA3C P0DPH7 4/20 0.48
TUBA1B P68363 4/20 0.48
TUBA4A P68366 4/20 0.48
TUBB4B P68371 4/20 0.48
TUBB3 Q13509 4/20 0.48
TUBB2A Q13885 4/20 0.48
TUBB8 Q3ZCM7 4/20 0.48
TUBA3E Q6PEY2 4/20 0.48
TUBA1A Q71U36 4/20 0.48
TUBA1C Q9BQE3 4/20 0.48
TUBB6 Q9BUF5 4/20 0.48
TUBB2B Q9BVA1 4/20 0.48
PTGS1 P23219 2/20 0.46
ABCB1 P08183 1/20 0.44

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
SCHEMBL918373 1.00 NFE2L2 (0.61) NFE2L2NQO2TUBB1TUBB4ATUBB
SCHEMBL918107 0.87 PTGS1 (0.44) NFE2L2NQO2TUBB1TUBB4ATUBB
SCHEMBL6449307 0.86 TUBB1 (0.63) NFE2L2NQO2TUBB1TUBB4ATUBB
SCHEMBL918728 0.86 TUBB1 (0.63) NFE2L2NQO2TUBB1TUBB4ATUBB
SCHEMBL918614 0.84 NFE2L2 (0.50) NFE2L2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL6459887 0.84 NFE2L2 (0.50) NFE2L2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL917865 0.84 TUBB1 (0.62) NFE2L2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL6453162 0.84 TUBB1 (0.62) NFE2L2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL919199 0.84 NFE2L2 (0.64) NFE2L2NQO2TUBB1TUBB4ATUBB
SCHEMBL6453084 0.83 NFE2L2 (0.60) NFE2L2NQO2TUBB1TUBB4ATUBB

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
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