SCHEMBL9217830

SCHEMBL9217830

CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)OCCc2ccccc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
HTT P42858 2/20 0.66
PKM P14618 1/20 0.66
MAPT P10636 6/20 0.58
KMT2A Q03164 5/20 0.58
HPGD P15428 5/20 0.58
MEN1 O00255 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
RXFP1 Q9HBX9 2/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
TTR P02766 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9217837 1.00 ALDH1A1 (0.66) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9217260 0.96 ALDH1A1 (0.66) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9217256 0.96 ALDH1A1 (0.66) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9209926 0.95 ALDH1A1 (0.58) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9209928 0.95 ALDH1A1 (0.58) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9209260 0.90 ALDH1A1 (0.61) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9209265 0.90 ALDH1A1 (0.61) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9217069 0.86 ALDH1A1 (0.67) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9217073 0.86 ALDH1A1 (0.67) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL9214213 0.86 ALDH1A1 (0.55) ALDH1A1HTTPKMMAPTKMT2A

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