SCHEMBL8848314

SCHEMBL8848314

COc1ccc(C(=O)C=Cc2cc(O)c(O)c([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 2/20 0.78
LMNA P02545 4/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 1/20 0.65
MAPT P10636 3/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
ABCG2 Q9UNQ0 4/20 0.61
MAOA P21397 2/20 0.59
COMT P21964 1/20 0.59
TNFRSF1A P19438 2/20 0.57
ABCB1 P08183 1/20 0.57
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
MAOB P27338 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL8848307 1.00 DBH (0.78) DBHLMNAALDH1A1HPGDMAPT
SCHEMBL8977014 0.87 LMNA (0.69) DBHLMNAALDH1A1HPGDMAPT
SCHEMBL7288782 0.87 DBH (1.00) DBHLMNAALDH1A1MAPTGAA
SCHEMBL8977023 0.87 LMNA (0.69) DBHLMNAALDH1A1HPGDMAPT
SCHEMBL7288785 0.87 DBH (1.00) DBHLMNAALDH1A1MAPTGAA
SCHEMBL8848346 0.86 DBH (0.72) DBHLMNAALDH1A1HPGDMAPT
SCHEMBL8848343 0.86 DBH (0.72) DBHLMNAALDH1A1HPGDMAPT
SCHEMBL8965003 0.83 LMNA (0.72) LMNAALDH1A1HPGDMAPTGAA
SCHEMBL8965000 0.83 LMNA (0.72) LMNAALDH1A1HPGDMAPTGAA
SCHEMBL8848409 0.82 DBH (0.77) DBHLMNAALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP claimed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP claimed
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP disclosed
US-5489614-A MEDICINAL ANTIOXIDANTS USED IN PREVENTION AND TREATMENT OF TISSUE DAMAGE INDUCED BY LIPID PEROXIDATION ORION-YHTYMA OY (FI) 1996-02-06 US disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US disclosed