O,O'-Dimethylcaffeic Acid

O,O'-Dimethylcaffeic Acid

SCHEMBL8367702

COc1ccc(C=CC(=O)O)cc1OC.C[Hg]Cl

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.85
ALDH1A1 P00352 3/20 0.85
HPGD P15428 2/20 0.85
HSD17B10 Q99714 2/20 0.85
SMN1; SMN2 Q16637 2/20 0.85
ALOX15 P16050 1/20 0.85
MAPK1 P28482 1/20 0.85
SNCA P37840 2/20 0.67
PKM P14618 2/20 0.66
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA3 P07451 1/20 0.66
CSNK2A2 P19784 1/20 0.66
CA4 P22748 1/20 0.66
CA6 P23280 1/20 0.66
CA5A P35218 1/20 0.66
CA7 P43166 1/20 0.66
CSNK2B P67870 1/20 0.66
CSNK2A1 P68400 1/20 0.66

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
O,O'-Dimethylcaffeic Acid SCHEMBL29636389 0.92 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
O,O'-Dimethylcaffeic Acid SCHEMBL81317 0.92 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
O,O'-Dimethylcaffeic Acid SCHEMBL81318 0.92 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
O,O'-Dimethylcaffeic Acid SCHEMBL27858763 0.91 KDM4E (0.97) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
O,O'-Dimethylcaffeic Acid SCHEMBL28025225 0.91 KDM4E (0.97) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
O,O'-Dimethylcaffeic Acid SCHEMBL27858762 0.91 KDM4E (0.97) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28950903 0.84 KDM4E (0.84) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL22047115 0.84 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2678970 0.83 KDM4E (0.82) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL13039663 0.83 KDM4E (0.82) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed