SCHEMBL7282176

SCHEMBL7282176

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
GPR35 Q9HC97 2/20 0.39
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL27691696 0.81 EGFR (0.39) ALDH1A1MEN1KMT2AMAPK1GPR35
SCHEMBL7278917 0.80 TTR (0.46) ALDH1A1MEN1KMT2AMAPK1GPR35
SCHEMBL7278682 0.76 NPC1 (0.53) ALDH1A1MEN1KMT2AMAPK1FAAH
SCHEMBL27691689 0.76 HPGD (0.51) ALDH1A1MEN1KMT2AMAPK1GPR35
SCHEMBL27493119 0.74 TTR (0.51) ALDH1A1MEN1KMT2AMAPK1GPR35
SCHEMBL7281523 0.72 COMT (0.38) ALDH1A1MEN1KMT2AMAPK1GPR35
SCHEMBL9252155 0.72 ESR1 (0.56) ALDH1A1TDP1CNR1CNR2
SCHEMBL8848315 0.72 TTR (0.49) ALDH1A1MEN1KMT2AMAPK1GPR35
SCHEMBL30593958 0.71 ALOX15 (0.55) ALDH1A1MEN1KMT2AMAPK1GPR35
SCHEMBL30593957 0.71 ALOX15 (0.55) ALDH1A1MEN1KMT2AMAPK1GPR35

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-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-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
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
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 CN disclosed