SCHEMBL9214213

SCHEMBL9214213

CCOC(=O)Oc1ccc(C=C(C#N)C(=O)OCCc2ccc(N)cc2)cc1OC(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
HTT P42858 2/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 4/20 0.54
MAPT P10636 6/20 0.53
MEN1 O00255 2/20 0.53
DNM1 Q05193 3/20 0.48
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 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
SCHEMBL9214206 1.00 ALDH1A1 (0.55) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9209928 0.90 ALDH1A1 (0.58) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9209926 0.90 ALDH1A1 (0.58) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9217837 0.86 ALDH1A1 (0.66) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9217260 0.86 ALDH1A1 (0.66) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9217256 0.86 ALDH1A1 (0.66) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9217830 0.86 ALDH1A1 (0.66) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9218079 0.85 ALDH1A1 (0.73) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9218067 0.85 ALDH1A1 (0.73) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL9218585 0.85 ALDH1A1 (0.53) 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