SCHEMBL5009890

SCHEMBL5009890

CCNC(=O)C(Cc1ccc(O)cc1)NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.62
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
CTSL P07711 1/20 0.52
ACE P12821 2/20 0.51
MME P08473 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
CHRND Q07001 5/20 0.51
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
CHRNB1 P11230 1/20 0.51
FOLH1 Q04609 1/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48

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
SCHEMBL5007773 1.00 GRIA1 (0.62) GRIA1CTSSCTSKCTSLACE
SCHEMBL16063576 0.87 GRIA1 (0.54) GRIA1CTSSCTSKCTSLACE
SCHEMBL13827705 0.87 GRIA1 (0.65) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14113860 0.86 CTSS (0.74) CTSSCTSKCTSL
SCHEMBL13819248 0.85 GRIA1 (0.66) GRIA1CTSSCTSKCTSLCPA1
SCHEMBL4151677 0.85 GRIA1 (0.66) GRIA1CTSSCTSKCTSLCPA1
SCHEMBL9724062 0.85 GRIA1 (0.59) GRIA1CTSSCTSKCTSLACE
SCHEMBL8903262 0.85 ACE (0.61) GRIA1ACEMMECPA1ACE2
SCHEMBL24724924 0.84 GRIA1 (0.57) GRIA1CTSSCTSKCTSLACE
SCHEMBL12632559 0.84 GRIA1 (0.57) GRIA1CTSSCTSKCTSLACE

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP disclosed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO disclosed
EP-1889910-A2 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SomaLogic, Inc. (US) 2008-02-20 EP disclosed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP disclosed
EP-0736105-B1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS SOMALOGIC INC (US) 2007-11-21 EP disclosed
US-20040132067-A1 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SOMALOGIC, INC. 2004-07-08 US disclosed
US-6482594-B2 Made by exposing nucleic acid candidate sequences having photoreactive groups to the target molecule, irradiating complexes formed to crosslink, and separating the crosslinked complexes and amplifying to give the ligands SOMALOGIC, INC. 2002-11-19 US disclosed
US-20020106652-A1 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SOMALOGIC, INC. 2002-08-08 US disclosed
US-6291184-B1 DETECTING TARGET MOLECULES IN A BIOLOGICAL SUBSTANCE ASSOCIATED WITH DISEASES BY EXPOSING SUBSTANCE TO A NUCLEIC ACID LIGAND THAT PHOTOCROSSLINKS TO A TARGET MOLECULE; IRRADIATING THE SUBSTANCE CONTAINING LIGAND, DETECT COMPLEXES SOMALOGIC, INC. 2001-09-18 US disclosed
US-6001577-A SCREENING FOR LIGANDS ASSOCIATED WITH A DISEASE BY DETECTING LIGAND THAT PHOTOCROSSLINKS TO TARGET WITH PHOTOREACTIVE GROUPS FROM CANDIDATE MIXTURE, REMOVING ANY NUCLEIC ACIDS WITH AFFINITIES NOT ASSOCIATED WITH DISEASE, AND AMPLIFYING NEXSTAR PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
EP-0736105-A4 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX UNIV RESEARCH CORP (US) 1998-10-28 EP disclosed
US-5763177-A SELEX IS AN ACRONYM FOR SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT; USEFUL FOR DIAGNOSIS AND/OR TREATMENT OF DISEASES OR PATHOLOGICAL OR TOXIC STATES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-06-09 US disclosed
EP-0736105-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX NeXstar Pharmaceuticals, Inc. (US) 1996-10-09 EP disclosed
WO-1995008003-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX UNIVERSITY RESEARCH CORPORATION (US) 1995-03-23 WO disclosed