SCHEMBL9216639

SCHEMBL9216639

CCOC(=O)Oc1ccc(C=C(C#N)C(=O)OC(C)Oc2ccccc2)cc1OC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
HTT P42858 2/20 0.52
PKM P14618 2/20 0.52
KMT2A Q03164 6/20 0.49
MAPT P10636 7/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
LMNA P02545 1/20 0.42
KLK7 P49862 1/20 0.42
KLK14 Q9P0G3 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL9216627 1.00 ALDH1A1 (0.52) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9219607 0.87 ALDH1A1 (0.58) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9219597 0.87 ALDH1A1 (0.58) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9217868 0.86 ALDH1A1 (0.54) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9217865 0.86 ALDH1A1 (0.54) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9216633 0.83 ALDH1A1 (0.56) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9218067 0.82 ALDH1A1 (0.73) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9218079 0.82 ALDH1A1 (0.73) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9217069 0.82 ALDH1A1 (0.67) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9217073 0.82 ALDH1A1 (0.67) ALDH1A1HTTPKMKMT2AMAPT

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