SCHEMBL7110866

SCHEMBL7110866

CC(C)CCCC(C)CCOc1ccc(-c2ccc(Cl)c(C(O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.44
FDPS P14324 2/20 0.43
ALOX5 P09917 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.36
GGPS1 O95749 1/20 0.36
GSTO1 P78417 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CSF3R Q99062 1/20 0.33

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
SCHEMBL7109586 0.89 RARB (0.42) RARBFDPSALOX5TDP1FFAR1
SCHEMBL6859293 0.85 RARB (0.43) RARBFDPSALOX5TDP1MAPK1
SCHEMBL7526858 0.80 ALOX5 (0.45) RARBFDPSALOX5TDP1FFAR1
SCHEMBL7114046 0.79 RARB (0.41) RARBFDPSALOX5TDP1MAPK1
SCHEMBL16340342 0.77 TDP1 (0.58) RARBFDPSALOX5TDP1MAPK1
SCHEMBL6857008 0.77 TDP1 (0.58) RARBFDPSALOX5TDP1MAPK1
SCHEMBL6859379 0.77 MCHR1 (0.37) RARBFDPSALOX5TDP1GGPS1
SCHEMBL22282461 0.77 TDP1 (0.41) RARBFDPSALOX5TDP1FFAR1
SCHEMBL7113833 0.76 FDPS (0.39) RARBFDPSALOX5FFAR1FFAR4
SCHEMBL6585486 0.76 ALOX5 (0.43) RARBFDPSALOX5TDP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638646-B2 Polymerizing one or more monomers containing dihalogen containing substituted biaryls, via a base-induced dehydrohalogenation SEMICONDUCTORS GMBH (DE) 2003-10-28 US disclosed
US-20030088050-A1 Substituted poly(arylenevinylenes), process for their preparation, and their use in electroluminescent elements MERCK PATENT GMBH (DE) 2003-05-08 US disclosed
US-20020064680-A1 Substituted poly(arylene vinylenes), method for producing the same, and their use in electroluminescent elements AXIVA GMBH (DE) 2002-05-30 US disclosed