SCHEMBL7561045

SCHEMBL7561045

N#Cc1ccc(N=Nc2ccc(OCCO)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
MMP2 P08253 6/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
MMP3 P08254 5/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
RECQL P46063 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HRH3 Q9Y5N1 5/20 0.44
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44
MAOB P27338 1/20 0.42
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL9004244 1.00 PPARD (0.52) PPARDPPARAMMP2ALDH1A1MAPT
SCHEMBL410754 0.89 MMP2 (0.61) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL31331613 0.89 PPARD (0.49) PPARDPPARAMMP2ALDH1A1MAPT
SCHEMBL9004231 0.89 PPARD (0.49) PPARDPPARAMMP2ALDH1A1MAPT
SCHEMBL7561155 0.89 PPARD (0.49) PPARDPPARAMMP2ALDH1A1MAPT
SCHEMBL9362894 0.87 ALDH1A1 (0.58) PPARDPPARAALDH1A1RECQL
SCHEMBL9362882 0.87 ALDH1A1 (0.58) PPARDPPARAALDH1A1RECQL
SCHEMBL5096555 0.85 MMP2 (0.67) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL18409045 0.83 PPARD (0.52) PPARDPPARAMMP2ALDH1A1MAPT
SCHEMBL5705450 0.82 MAOB (0.46) PPARDPPARAMMP2ALDH1A1MAOB

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-0622789-B1 Sheet-like structures containing side chain polymers BAYER AG (DE) 2002-08-07 EP disclosed
US-5543267-A Photo-induced optically anisotropic amorphous film materials from side group polymers AGFA-GEVAERT AG (DE) 1996-08-06 US disclosed
EP-0622789-A1 Sheet-like structures containing side chain polymers Agfa-Gevaert AG (DE) 1994-11-02 EP disclosed