SCHEMBL988902

SCHEMBL988902

C[CH]NC(=O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
EPHX1 P07099 1/20 0.52
ACHE P22303 14/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL6499615 0.87
SCHEMBL28397108 0.84 EPHX1 (0.48) ATMEPHX1ACHEALDH1A1HPGD
SCHEMBL1274538 0.83 ATM (0.52) ATMEPHX1ACHEALDH1A1HPGD
SCHEMBL7458595 0.83 ATM (0.52) ATMEPHX1ACHEALDH1A1HPGD
SCHEMBL1416110 0.83 ACHE (0.44) ATMEPHX1ACHE
Iodide SCHEMBL6370027 0.82 EPHX1 (0.47) ATMEPHX1ACHEALDH1A1HPGD
SCHEMBL5924841 0.82 HPGD (0.57) ATMEPHX1ACHEALDH1A1HPGD
SCHEMBL14855306 0.80 HCAR2 (0.52) ATMEPHX1ACHEALDH1A1HPGD
SCHEMBL7403483 0.80 EPHX1 (0.48) ATMEPHX1ACHEALDH1A1HPGD
SCHEMBL10431439 0.80 EPHX1 (0.48) ATMEPHX1ACHEALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2005068424-A1 INDOLINONE DERIVATIVES AS RECEPTOR TYROSINE KINASE IHIBITORS CELL THERAPEUTICS EUROPE S.R.L. (IT) 2005-07-28 WO claimed
EP-0419998-A2 Use of alkylphosphonic acid derivatives for the treatment of psoriasis ASTA Medica Aktiengesellschaft (DE) 1991-04-03 EP claimed
EP-0047079-B1 NONAPEPTIDES AFFECTING GONADAL FUNCTION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1984-02-22 EP claimed
US-4159981-A CYCLIC POLYPEPTIDES, DEETHERIFICATION, DEESTERIFICATION CIBA-GEIGY CORPORATION (US) 1979-07-03 US claimed
WO-2017034877-A1 CHEMICALLY MODIFIED QUINOLINE AND QUINOLONE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP disclosed
WO-2009131805-A1 NUCLEIC ACID TERMINATORS INCORPORATING A CATIONIC MOIETY AND METHODS FOR THEIR USE Life Technologies Corporation (US) 2009-10-29 WO disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 WO disclosed
EP-1601674-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-07 EP disclosed
WO-2004022558-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO disclosed
EP-1214314-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-06-19 EP disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0224925-A3 PHOSPHOROUS COMPOUNDS AND MEDICINES CONTAINING THEM Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1987-10-21 EP disclosed
US-4698337-A Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed
EP-0034567-B1 A METHOD FOR THE TOTAL SYNTHESIS OF CYCLOSPORINS AND NOVEL CYCLOSPORINS SANDOZ AG (CH) 1984-11-07 EP disclosed
EP-0047079-B1 NONAPEPTIDES AFFECTING GONADAL FUNCTION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1984-02-22 EP disclosed