SCHEMBL9216404

SCHEMBL9216404

CC(OC(=O)C(C#N)=Cc1ccc(O)c(O)c1)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.56
MAPT P10636 6/20 0.56
TDP1 Q9NUW8 6/20 0.56
ERBB2 P04626 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 5/20 0.56
TP53 P04637 5/20 0.56
CYP1A2 P05177 5/20 0.56
KMT2A Q03164 5/20 0.56
HSD17B10 Q99714 5/20 0.56
ALDH1A1 P00352 5/20 0.56
GMNN O75496 4/20 0.56
CYP3A4 P08684 4/20 0.56
ALOX15 P16050 4/20 0.56
ALOX12 P18054 4/20 0.56
NFKB1 P19838 4/20 0.56
MAPK1 P28482 4/20 0.56
CYP2C19 P33261 4/20 0.56
BLM P54132 4/20 0.56

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
SCHEMBL9216389 1.00 EGFR (0.56) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9347040 0.83 DNM1 (0.67) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9347047 0.83 DNM1 (0.67) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9209546 0.82 EGFR (0.61) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9209548 0.82 EGFR (0.61) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9212315 0.82 EGFR (0.65) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9212306 0.82 EGFR (0.65) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9350895 0.80 EGFR (0.59) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9350903 0.80 EGFR (0.59) EGFRMAPTTDP1ERBB2SMN1; SMN2
SCHEMBL9216639 0.79 ALDH1A1 (0.52) EGFRMAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475214-B1 Caffeic acid derivatives and pharmaceutical compositions containing the same SUNTORY LTD (JP) 1995-06-07 EP disclosed
US-5326785-A Arteriosclerosis andn diseases of the circulatory system SUNTORY LIMITED (JP) 1994-07-05 US disclosed
US-5232941-A Therapeutic agents for diseases of the circulatory system SUNTORY LIMITED (JP) 1993-08-03 US disclosed
EP-0475214-A1 Caffeic acid derivatives and pharmaceutical compositions containing the same SUNTORY LIMITED (JP) 1992-03-18 EP disclosed