SCHEMBL6448424

SCHEMBL6448424

CCCc1c(OC)cc(/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 9/20 0.41
TUBB4A P04350 4/20 0.38
TUBB P07437 4/20 0.38
TUBA3C P0DPH7 4/20 0.38
TUBA1B P68363 4/20 0.38
TUBA4A P68366 4/20 0.38
TUBB4B P68371 4/20 0.38
TUBB3 Q13509 4/20 0.38
TUBB2A Q13885 4/20 0.38
TUBB8 Q3ZCM7 4/20 0.38
TUBA3E Q6PEY2 4/20 0.38
TUBA1A Q71U36 4/20 0.38
TUBA1C Q9BQE3 4/20 0.38
TUBB6 Q9BUF5 4/20 0.38
TUBB2B Q9BVA1 4/20 0.38
NFE2L2 Q16236 3/20 0.38
PTGS1 P23219 4/20 0.38
ALOX5 P09917 2/20 0.38
PTGS2 P35354 2/20 0.38
CYP1A1 P04798 5/20 0.37

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
SCHEMBL917832 1.00 TUBB1 (0.41) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6450850 0.85 TUBB1 (0.41) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL919181 0.85 TUBB1 (0.41) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL918107 0.84 PTGS1 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6449536 0.84 CYP1A1 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL918372 0.84 CYP1A1 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6453082 0.81 NFE2L2 (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL918373 0.81 NFE2L2 (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6448427 0.80 CYP1A1 (0.43) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL930954 0.79 CYP1A1 (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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