SCHEMBL2567582

SCHEMBL2567582

CCOC(=O)OC1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
ALDH1A1 P00352 3/20 0.41
SOAT1 P35610 1/20 0.39
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FDPS P14324 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9054793 1.00 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4ALDH1A1SOAT1
SCHEMBL4014963 0.95 ALDH1A1 (0.43) SLC6A2SLC6A3SLC6A4ALDH1A1SOAT1
SCHEMBL2330898 0.95 ALDH1A1 (0.43) SLC6A2SLC6A3SLC6A4ALDH1A1SOAT1
SCHEMBL9998422 0.81 EPHX1 (0.36) SLC6A2SLC6A3SLC6A4ALDH1A1FDPS
SCHEMBL27695492 0.80 NAAA (0.43)
SCHEMBL9685631 0.79 SLC6A3 (0.42) SLC6A2SLC6A3SLC6A4ALDH1A1
Ammonia Solution, Strong SCHEMBL16191692 0.79 EPHX1 (0.35) SLC6A2SLC6A3SLC6A4ALDH1A1FDPS
SCHEMBL4124514 0.78 KMT2A (0.44) SLC6A2SLC6A3SLC6A4ALDH1A1KMT2A
SCHEMBL9568980 0.78 ALDH1A1 (0.38) SLC6A2SLC6A3SLC6A4ALDH1A1SOAT1
Hydrochloric Acid SCHEMBL8933166 0.78 SLC6A3 (0.43) SLC6A2SLC6A3SLC6A4ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352150-A1 Process for the preparation of meta-substituted fluoro or alkyl benzene derivatives RHONE-POULENC CHIMIE (FR) 1990-01-24 EP claimed
EP-3019012-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2016-05-18 EP disclosed
WO-2015004040-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-01-15 WO disclosed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed
EP-1706413-A1 TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2006-10-04 EP disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
WO-2005068472-A1 TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-07-28 WO disclosed
EP-0311135-B1 HETEROCYCLIC SUBSTITUTED AZOLES AND AZINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS AN AGENT WITH HERBICIDE ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-02 EP disclosed
EP-0349748-B1 SUBSTITUTED N-ARYL-NITROGEN CONTAINING HETEROCYCLES BAYER AG (DE) 1992-11-19 EP disclosed
EP-0427031-A2 N-aryl-nitrogen heterocycles BAYER AG (DE) 1991-05-15 EP disclosed
EP-0406993-A2 Substituted benzoxazolinone and benzoxazinone derivatives, process for their preparation and their use as agent with herbicide activity SCHERING AKTIENGESELLSCHAFT (DE) 1991-01-09 EP disclosed
EP-0384192-A2 N-Aryl nitrogen heterocycles having fluorine-containing substituents BAYER AG (DE) 1990-08-29 EP disclosed
EP-0364797-A2 N-aryl-nitrogenated heterocycles, process for their preparation and their use as herbicides BAYER AG (DE) 1990-04-25 EP disclosed
EP-0363585-A1 N-aryl nitrogen heterocycles BAYER AG (DE) 1990-04-18 EP disclosed
EP-0349748-A1 Substituted N-aryl-nitrogen containing heterocycles BAYER AG (DE) 1990-01-10 EP disclosed
EP-0311135-A2 Heterocyclic substituted azoles and azines, process for their preparation and their use as an agent with herbicide activity SCHERING AKTIENGESELLSCHAFT (DE) 1989-04-12 EP disclosed
EP-0268797-A2 Halogencyclopropyl compounds, their preparation and herbicidal application SCHERING AKTIENGESELLSCHAFT (DE) 1988-06-01 EP disclosed