SCHEMBL8848403

SCHEMBL8848403

N#CC(CO)Cc1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
RECQL P46063 2/20 0.45
CYP2C9 P11712 2/20 0.44
GPR35 Q9HC97 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FTO Q9C0B1 4/20 0.42
XDH P47989 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
SCHEMBL8849086 0.80 FTO (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8848416 0.75 TTR (0.58) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8848633 0.75 TTR (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8848322 0.75 COMT (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4673158 0.74 COMT (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8848287 0.72 GPR35 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8848389 0.71 TTR (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8848721 0.71 TTR (0.56) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8848361 0.71 TTR (0.56) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL12776819 0.71 GPR35 (0.56) MEN1KMT2AALDH1A1MAPTHPGD

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