SCHEMBL5705387

SCHEMBL5705387

C=C(C)C(=O)OCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
MAOB P27338 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL5848329 1.00 PPARD (0.41) PPARDPPARAMAOBALDH1A1HPGD
SCHEMBL7561622 0.86 ALDH1A1 (0.55) PPARDPPARAALDH1A1MAPTPOLB
SCHEMBL9004246 0.86 ALDH1A1 (0.55) PPARDPPARAALDH1A1MAPTPOLB
SCHEMBL14791140 0.83 ALDH1A1 (0.51) PPARDPPARAALDH1A1MAPTPOLB
SCHEMBL12676084 0.78 PPARA (0.42) PPARDPPARAALDH1A1MAPTPOLB
SCHEMBL14597114 0.78 MAPT (0.52) PPARDPPARAALDH1A1MAPTPOLB
SCHEMBL5705450 0.78 MAOB (0.46) PPARDPPARAMAOBALDH1A1HPGD
SCHEMBL5848220 0.78 MAOB (0.46) PPARDPPARAMAOBALDH1A1HPGD
SCHEMBL20828630 0.76 POLB (0.57) PPARDPPARAPOLBAPEX1HTT
SCHEMBL12669351 0.76 PPARA (0.55) PPARDPPARAHPGDMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171877-B1 ERASABLE OPTICAL RECORDING MATERIAL FOR BLUE LASERS BAYER MATERIALSCIENCE AG (DE) 2006-09-27 EP disclosed
US-7022460-B2 Including polymeric azo dyes capable of changing its spatial arrangement upon irradiation with polarized electromagnetic radiation; units of 4-(2-methacryloyloxyethyloxy)-3,4'-dicyanoazobenzene for example BAYER AKTIENGESELLSCHAFT (DE) 2006-04-04 US disclosed
US-20040214106-A1 Including polymeric azo dyes capable of changing its spatial arrangement upon irradiation with polarized electromagnetic radiation; units of 4-(2-methacryloyloxyethyloxy)-3,4'-dicyanoazobenzene for example COVESTRO DEUTSCHLAND AG (DE) 2004-10-28 US disclosed