SCHEMBL5885805

SCHEMBL5885805

CC(C)CCCC(C)CCOc1cccc(-c2cc(CCl)c(-c3cccc(OCCC(C)CCCC(C)C)c3)cc2CCl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.39
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
GALR3 O60755 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
GSTO1 P78417 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BACE1 P56817 1/20 0.33
PDK2 Q15119 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL6852169 0.93 FDPS (0.35) FDPSALOX5GGPS1TDP1GALR3
SCHEMBL4341750 0.92 ALOX5 (0.37) FDPSALOX5GGPS1TDP1GSTO1
SCHEMBL3376719 0.91 BACE1 (0.40) FDPSALOX5GGPS1TDP1GALR3
SCHEMBL2784719 0.90 ALOX5 (0.40) FDPSALOX5GGPS1TDP1GALR3
SCHEMBL7562822 0.89 FDPS (0.36) FDPSALOX5GGPS1TDP1GALR3
SCHEMBL5885814 0.88 FDPS (0.41) FDPSALOX5GGPS1TDP1GALR3
SCHEMBL4336760 0.86 FDPS (0.43) FDPSALOX5GGPS1TDP1GSTO1
SCHEMBL13502288 0.86 FDPS (0.45) FDPSALOX5GGPS1TDP1GALR3
SCHEMBL7727946 0.85 ALOX5 (0.42) FDPSALOX5GGPS1TDP1GSTO1
SCHEMBL1446492 0.84 TDP1 (0.42) FDPSALOX5GGPS1TDP1GSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US disclosed
EP-1232225-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS (DE) 2004-12-01 EP disclosed
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