SCHEMBL7562822

SCHEMBL7562822

CC(C)CCCC(C)CCOc1cccc(-c2cccc(CCl)c2CCl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
ALOX5 P09917 1/20 0.36
GGPS1 O95749 1/20 0.36
BACE1 P56817 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
PDK2 Q15119 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GSTO1 P78417 1/20 0.32
GALR3 O60755 1/20 0.32
HSP90AA1 P07900 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CD274 Q9NZQ7 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 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
SCHEMBL3376719 0.91 BACE1 (0.40) FDPSALOX5GGPS1BACE1TDP1
SCHEMBL5885805 0.89 FDPS (0.39) FDPSALOX5GGPS1BACE1TDP1
SCHEMBL2784719 0.83 ALOX5 (0.40) FDPSALOX5GGPS1TDP1GSTO1
SCHEMBL6852169 0.83 FDPS (0.35) FDPSALOX5GGPS1TDP1PDK2
SCHEMBL4341750 0.82 ALOX5 (0.37) FDPSALOX5GGPS1TDP1MAPT
SCHEMBL13502288 0.82 FDPS (0.45) FDPSALOX5GGPS1BACE1TDP1
SCHEMBL5885814 0.79 FDPS (0.41) FDPSALOX5GGPS1TDP1PDK2
SCHEMBL7727946 0.79 ALOX5 (0.42) FDPSALOX5GGPS1TDP1PDK2
SCHEMBL1446492 0.78 TDP1 (0.42) FDPSALOX5GGPS1TDP1PDK2
SCHEMBL27483201 0.78 LTA4H (0.46) FDPSALOX5GGPS1BACE1TDP1

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-1232225-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES Covion Organic Semiconductors GmbH (DE) 2002-08-21 EP disclosed
WO-2001034722-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2001-05-17 WO 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
EP-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 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
WO-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed