SCHEMBL7560335

SCHEMBL7560335

C=CC(=O)OCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
PPARA Q07869 3/20 0.52
PPARD Q03181 2/20 0.52
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
MMP2 P08253 6/20 0.45
MMP3 P08254 5/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9004219 1.00 THRB (0.57) THRBPPARAPPARDALDH1A1MAPT
SCHEMBL13904873 0.94 THRB (0.49) THRBPPARAPPARDALDH1A1MAPT
SCHEMBL10898936 0.92 THRB (0.48) THRBPPARAPPARDALDH1A1MAPT
SCHEMBL10898934 0.92 THRB (0.48) THRBPPARAPPARDALDH1A1MAPT
SCHEMBL12348073 0.92 THRB (0.67) THRBALDH1A1MAPTMMP2MMP3
SCHEMBL13655364 0.90 THRB (0.69) THRBPPARAPPARDALDH1A1TP53
SCHEMBL12348079 0.88 THRB (0.61) THRBALDH1A1MAPTMMP2MMP3
SCHEMBL471107 0.88 THRB (0.61) THRBALDH1A1MAPTMMP2MMP3
SCHEMBL2241855 0.85 THRB (0.56) THRBALDH1A1MAPTMMP2MMP3
SCHEMBL25123497 0.84 THRB (0.57) THRBALDH1A1MAPTMMP2MMP3

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