SCHEMBL6852169

SCHEMBL6852169

CC(C)CCCC(C)CCOc1cccc(-c2cc(CCl)c(F)cc2CCl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.35
ALOX5 P09917 1/20 0.35
GGPS1 O95749 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
RPS6KA3 P51812 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDK2 Q15119 1/20 0.32
GSTO1 P78417 1/20 0.31
GALR3 O60755 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 2/20 0.31

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
SCHEMBL5885805 0.93 FDPS (0.39) FDPSALOX5GGPS1TDP1CYP1A2
SCHEMBL6858939 0.88 FDPS (0.38) FDPSALOX5GGPS1PTGS2TDP1
SCHEMBL4341750 0.86 ALOX5 (0.37) FDPSALOX5GGPS1TDP1CYP1A2
SCHEMBL3376719 0.84 BACE1 (0.40) FDPSALOX5GGPS1TDP1CYP1A2
SCHEMBL2784719 0.84 ALOX5 (0.40) FDPSALOX5GGPS1TDP1CYP1A2
SCHEMBL7562822 0.83 FDPS (0.36) FDPSALOX5GGPS1TDP1CYP1A2
SCHEMBL5885814 0.82 FDPS (0.41) FDPSALOX5GGPS1PTGS2TDP1
SCHEMBL4336760 0.81 FDPS (0.43) FDPSALOX5GGPS1TDP1GSTO1
SCHEMBL13502288 0.80 FDPS (0.45) FDPSALOX5GGPS1TDP1CYP1A2
SCHEMBL7727946 0.80 ALOX5 (0.42) FDPSALOX5GGPS1TDP1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1029019-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS COVION ORGANIC SEMICONDUCTORS (DE) 2004-03-03 EP disclosed
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
EP-1029019-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS Axiva GmbH (DE) 2000-08-23 EP disclosed
WO-1999024526-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS AXIVA GMBH (DE) 1999-05-20 WO disclosed