SCHEMBL6859341

SCHEMBL6859341

CC(C)Cc1ccc(-c2cc(CO)c(F)cc2CO)cc1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
BTK Q06187 1/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
DPP4 P27487 1/20 0.32
SGK1 O00141 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
RORC P51449 1/20 0.31
ACVRL1 P37023 1/20 0.31
BDKRB1 P46663 3/20 0.31
S1PR1 P21453 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
SCHEMBL6859347 0.82 DPP4 (0.32) DPP4RORC
SCHEMBL6858936 0.80 PDCD1 (0.48) PDCD1CD274GABRA1GABRB2ACVRL1
SCHEMBL12960417 0.75 DPP4 (0.42) GABRA1GABRB2DPP4
SCHEMBL26404184 0.71 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL7110652 0.70 ADRA2A (0.36) GABRA1GABRB2RORC
Ammonia Solution, Strong SCHEMBL4590278 0.69 GABRA1 (0.40) GABRA1GABRB2SGK1CAMKK2
SCHEMBL17897206 0.69 GABRA1 (0.50) MAPK1LTB4RGABRA1GABRB2
SCHEMBL17243643 0.69 GABRA1 (0.34) GABRA1GABRB2DPP4
SCHEMBL9389759 0.69 GABRA1 (0.46) GABRA1GABRB2DPP4RORC
SCHEMBL12960398 0.69 GABRA1 (0.34) GABRA1GABRB2DPP4

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