SCHEMBL6036504

SCHEMBL6036504

CC(=O)Oc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 2/20 0.59
MAPT P10636 7/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 3/20 0.51
KRAS P01116 1/20 0.51
MAOB P27338 3/20 0.50
BCHE P06276 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CCR6 P51684 1/20 0.50
GAA P10253 1/20 0.47
CYP1B1 Q16678 1/20 0.47
PAX8 Q06710 1/20 0.46
ABCB1 P08183 1/20 0.45

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
SCHEMBL6036507 1.00 DBH (0.59) DBHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6035856 0.87 DBH (0.60) DBHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6035858 0.87 DBH (0.60) DBHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9250626 0.82 DBH (0.59) DBHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9250624 0.82 DBH (0.59) DBHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7371498 0.79 VCAM1 (0.51) MAPTLMNAALDH1A1MAPK1HPGD
SCHEMBL6036171 0.77 DBH (0.65) DBHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6036169 0.77 DBH (0.65) DBHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9779262 0.76 MAPT (0.67) DBHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9779258 0.76 MAPT (0.67) DBHMAPTLMNAALDH1A1SMN1; 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 11 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
US-20060234223-A1 Association of snps in the comt locus and neighboring loci with schizophrenia, bipolar disorder, breast cancer and colorectal cancer DARVASI ARIEL 2006-10-19 US disclosed
WO-2003070082-A2 ASSOCIATION OF SNPS IN THE COMT LOCUS AND NEIGHBORING LOCI WITH SCHIZOPHRENIA, BIPOLAR DISORDER, BREAST CANCER AND COLORECTAL CANCER IDGENE PHARMACEUTICALS LTD. (IL) 2003-08-28 WO disclosed
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