SCHEMBL6035858

SCHEMBL6035858

O=C(C=Cc1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 2/20 0.60
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
MAPT P10636 6/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 3/20 0.51
BCHE P06276 1/20 0.51
HTT P42858 2/20 0.49
KRAS P01116 1/20 0.49
CYP1B1 Q16678 1/20 0.48
SYK P43405 1/20 0.47

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
SCHEMBL6035856 1.00 DBH (0.60) DBHCA12CA1CA2CA9
SCHEMBL6036507 0.87 DBH (0.59) DBHCA12CA1CA2CA9
SCHEMBL6036504 0.87 DBH (0.59) DBHCA12CA1CA2CA9
SCHEMBL9250626 0.81 DBH (0.59) DBHMAPTLMNAALDH1A1RAB9A
SCHEMBL9250624 0.81 DBH (0.59) DBHMAPTLMNAALDH1A1RAB9A
SCHEMBL6036169 0.76 DBH (0.65) DBHMAPTLMNAALDH1A1RAB9A
SCHEMBL6036171 0.76 DBH (0.65) DBHMAPTLMNAALDH1A1RAB9A
SCHEMBL7245286 0.75 DBH (1.00) DBHMAPTLMNAALDH1A1RAB9A
SCHEMBL7281446 0.75 DBH (1.00) DBHMAPTLMNAALDH1A1RAB9A
SCHEMBL9779258 0.75 MAPT (0.67) DBHMAPTLMNAALDH1A1RAB9A

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