SCHEMBL7587630

SCHEMBL7587630

C=CC(=O)OCCOCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
MMP2 P08253 8/20 0.55
MMP3 P08254 6/20 0.51
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
RARB P10826 1/20 0.42
ABCB1 P08183 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
SCHEMBL9880801 1.00 THRB (0.57) THRBMMP2MMP3MMP1MMP9
SCHEMBL25123497 1.00 THRB (0.57) THRBMMP2MMP3MMP1MMP9
SCHEMBL12646353 0.96 THRB (0.53) THRBMMP2MMP3MMP1MMP9
SCHEMBL471107 0.96 THRB (0.61) THRBMMP2MMP3MMP1MMP9
SCHEMBL12348079 0.96 THRB (0.61) THRBMMP2MMP3MMP1MMP9
SCHEMBL12348073 0.92 THRB (0.67) THRBMMP2MMP3MMP1MMP9
SCHEMBL21500157 0.91 THRB (0.48) THRBMMP2MMP3MMP1MMP9
SCHEMBL24804854 0.90 THRB (0.69) THRBMMP2MMP3ALDH1A1TP53
SCHEMBL12154697 0.90 THRB (0.55) THRBMMP2MMP3MMP1MMP9
SCHEMBL5961806 0.89 MMP3 (0.58) THRBMMP2MMP3MMP1MMP9

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 2 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
EP-0622789-A1 Sheet-like structures containing side chain polymers Agfa-Gevaert AG (DE) 1994-11-02 EP disclosed