SCHEMBL6857231

SCHEMBL6857231

CCOC(=O)c1cc(-c2ccc(OCCC(C)CCCC(C)C)cc2)c(C(=O)OCC)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
RARB P10826 1/20 0.41
FDPS P14324 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EGFR P00533 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37

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
SCHEMBL5885726 0.94 RARB (0.45) FFAR1FFAR4RARBFDPSTP53
SCHEMBL6858932 0.87 GAA (0.42) RARBFDPSTP53SMN1; SMN2ALOX5
SCHEMBL7137206 0.84 RARB (0.48) RARBFDPSTP53SMN1; SMN2ALOX5
SCHEMBL5885728 0.82 L3MBTL1 (0.46) FDPSALOX5EGFRMAPK1TDP1
SCHEMBL2864794 0.80 RARB (0.45) RARBFDPSTP53SMN1; SMN2ALOX5
SCHEMBL6860538 0.78 PTGS2 (0.42) FDPSALOX5EGFRMAPK1TDP1
SCHEMBL6858903 0.77 L3MBTL1 (0.43) FDPSSMN1; SMN2ALOX5LMNAMEN1
SCHEMBL27491939 0.74 RARB (0.48) RARBFDPSALOX5LMNARAB9A
SCHEMBL6860165 0.73 FDPS (0.42) FFAR1FFAR4RARBFDPSTP53
SCHEMBL6852156 0.73 TSHR (0.53) TP53SMN1; SMN2NPC1LMNARAB9A

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