SCHEMBL6859375

SCHEMBL6859375

CC(C)CCCC(C)CCOc1cc(CO)c(-c2ccccc2)cc1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.37
LTB4R2 Q9NPC1 6/20 0.37
FDPS P14324 2/20 0.36
TLR8 Q9NR97 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
ADRB2 P07550 1/20 0.36
IDO1 P14902 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6872794 0.88 TLR8 (0.36) LTB4RLTB4R2FDPSTLR8ALOX5
SCHEMBL6860303 0.87 TDP1 (0.36) LTB4RLTB4R2FDPSTLR8ALOX5
SCHEMBL6858914 0.83 ALOX5 (0.39) FDPSALOX5ALDH1A1TDP1MAPT
SCHEMBL5885814 0.83 FDPS (0.41) FDPSALOX5TDP1GGPS1
SCHEMBL6859290 0.82 MGAM (0.47) FDPSALOX5TDP1GGPS1
SCHEMBL5885700 0.82 FDPS (0.46) FDPSALOX5HTTTDP1MAPT
SCHEMBL1204813 0.82 PDE4A (0.40) FDPSALOX5KDM4EALDH1A1SMN1; SMN2
SCHEMBL27459272 0.80 HTR7 (0.51) KDM4EALDH1A1ADRB2IDO1TP53
SCHEMBL6858939 0.78 FDPS (0.38) FDPSALOX5TDP1GGPS1
SCHEMBL6248055 0.78 RARB (0.42) FDPSTLR8ALOX5KDM4EALDH1A1

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 7 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-6509507-B2 Reacting a 6-membered aromatic ring with 1,4- position ester or benzylic OH groups with a second aromatic in a palladium catalyzed cross-coupling; electroluminescence AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2003-01-21 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