SCHEMBL11116467

SCHEMBL11116467

c1ccc2c(C3OC3COCC3OC3c3cccc4ccccc34)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.45
KDM1A O60341 1/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
EPHX1 P07099 1/20 0.44
KDM4E B2RXH2 1/20 0.41
TDP2 O95551 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL8766883 0.81 EPHX1 (0.50) SLC6A4KDM1ASLC6A2SLC6A3EPHX1
SCHEMBL38656328 0.77 CYP1A2 (0.41) ALDH1A1HPGDL3MBTL1
SCHEMBL995764 0.75 PYGL (0.55) PYGL
SCHEMBL8772876 0.75 PYGL (0.55) PYGL
SCHEMBL29657678 0.74 HTR2C (0.43) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL23547703 0.73 LGALS3 (0.43) SLC6A4KDM1ASLC6A2SLC6A3EPHX1
SCHEMBL23797741 0.71 LGALS3 (0.47) EPHX1PYGL
SCHEMBL23547663 0.71 LGALS3 (0.47) EPHX1PYGL
SCHEMBL31347676 0.71 HSD17B10 (0.38) KDM4EALDH1A1MAPTHPGDALOX12
SCHEMBL7915108 0.71 EPHX1 (0.50) SLC6A4KDM1ASLC6A2SLC6A3EPHX1

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-3529294-B1 EPOXY RESIN COMPOSITIONS AND FIBER-REINFORCED COMPOSITE MATERIALS PREPARED THEREFROM TORAY INDUSTRIES (JP) 2022-05-18 EP claimed
CN-109839444-B Process for separating naphthol derivatives and their use 武汉科福新药有限责任公司 2022-03-15 CN claimed
CN-111929372-B HPLC (high performance liquid chromatography) detection method for propranolol hydrochloride genotoxic impurities 江苏云阳集团药业有限公司 2023-01-10 CN disclosed
CN-109839444-B Process for separating naphthol derivatives and their use 武汉科福新药有限责任公司 2022-03-15 CN disclosed
US-4450173-A BRIEF ACTING B-ADRENERGIC BLOCKING AGENTS; BIOLOGICAL INJECTIONS; ANTIARRYHYTHMIA AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1984-05-22 US disclosed
EP-0065963-A4 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-04-25 EP disclosed
EP-0065963-A1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1982-12-08 EP disclosed
WO-1982001870-A1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORP (US) 1982-06-10 WO disclosed
EP-0053434-A1 Compounds and method for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1982-06-09 EP disclosed