SCHEMBL6858895

SCHEMBL6858895

CC(C)COc1ccc(-c2cc(CCl)c(F)cc2CCl)cc1OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
DHODH Q02127 2/20 0.37
KDM1A O60341 1/20 0.35
XDH P47989 5/20 0.35
FPR2 P25090 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
PTGER1 P34995 1/20 0.32
GRM2 Q14416 1/20 0.32
HIF1A Q16665 1/20 0.32
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL5885587 0.92 ALDH1A1 (0.49) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL2784823 0.84 ALDH1A1 (0.42) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL4331248 0.80 ALDH1A1 (0.43) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL5885519 0.80 TLR8 (0.37) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL5886030 0.77 ALDH1A1 (0.49) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL6859347 0.75 DPP4 (0.32)
SCHEMBL7137943 0.69 ALDH1A1 (0.43) ALDH1A1GAADHODHXDHFPR2
SCHEMBL5885086 0.69 TLR8 (0.34) ALDH1A1GAA
SCHEMBL4723254 0.66 KDM1A (0.52) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL5885008 0.66 S1PR1 (0.37) ALDH1A1GAAMAPTDHODH

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