SCHEMBL7278917

SCHEMBL7278917

O=C(O)CCCCc1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR35 Q9HC97 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
XDH P47989 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9252028 0.82 RAB9A (0.50) TTRMAPTKDM4EALDH1A1
SCHEMBL31672996 0.82 MAPT (0.55) MAPTMAPK1RXFP1
SCHEMBL27493119 0.81 TTR (0.51) TTRMAPTKDM4EMEN1ALDH1A1
SCHEMBL7820506 0.81 GPR35 (0.48) GPR35CA12CA1CA2CA9
SCHEMBL7282176 0.80 ALDH1A1 (0.41) TTRMAPTKDM4EMEN1ALDH1A1
SCHEMBL27691689 0.80 HPGD (0.51) TTRMAPTKDM4EMEN1ALDH1A1
SCHEMBL11156541 0.80 TTR (0.53) TTRMAPTKDM4EMEN1ALDH1A1
SCHEMBL8848315 0.79 TTR (0.49) TTRMAPTKDM4EMEN1ALDH1A1
SCHEMBL8848310 0.79 TTR (0.49) TTRMAPTKDM4EMEN1ALDH1A1
SCHEMBL27691696 0.79 EGFR (0.39) TTRMAPTKDM4EMEN1ALDH1A1

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 12 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-0323162-B1 NEW USE OF CATECHOL-O-METHYL TRANSFERASE (COMT) INHIBITORS AND THEIR PHYSIOLOGICALLY ACCEPTABLE SALTS AND ESTERS ORION YHTYMAE OY (FI) 1993-09-15 EP claimed
EP-0323162-A2 New use of catechol-o-methyl transferase (comt) inhibitors and their physiologically acceptable salts and esters ORION-YHTYMÀ„ OY (FI) 1989-07-05 EP claimed
US-6150412-A SUCH AS 4-(5-HYDROXY-4-METHOXY-2-NITROPHENYL)BUTANOIC ACID; ADMINISTERING TO INHIBIT CATECHOL-O-METHYL TRANSFERASE; TREATING PARKINSON'S DISEASE OR HYPERTENSION ORION-YHTYMA OY (FI) 2000-11-21 US 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
WO-1996037456-A1 NEW CATECHOL DERIVATIVES Orion-Yhtymä Oy (FI) 1996-11-28 WO 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
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US disclosed
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 CN disclosed