SCHEMBL2517864

SCHEMBL2517864

O=C(O)[CH]CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 9/20 0.53
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
FFAR1 O14842 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL503631 0.84 MAPT (0.58) HDAC2HDAC8HDAC6HDAC3MAPK1
SCHEMBL2518011 0.84 MAPT (0.58) HDAC2HDAC8HDAC6HDAC3MAPK1
SCHEMBL2523030 0.84 MAPT (0.58) HDAC2HDAC8HDAC6HDAC3MAPK1
SCHEMBL3730290 0.83 GPR52 (0.50) GPR52KEAP1ALDH1A1HDAC2HDAC8
SCHEMBL27548545 0.79 GPR52 (0.51) GPR52KEAP1ALDH1A1HDAC2HDAC8
SCHEMBL2853636 0.78 GPR52 (0.70) GPR52
SCHEMBL2853640 0.78 GPR52 (0.70) GPR52
SCHEMBL2856224 0.78 GPR52 (0.70) GPR52
SCHEMBL7518761 0.78 GPR52 (0.48) GPR52KEAP1ALDH1A1HDAC2HDAC8
Maleic Acid SCHEMBL4301221 0.76 ALDH1A1 (0.66) GPR52KEAP1ALDH1A1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903337-B1 PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES KANEKA CORP (JP) 2006-04-12 EP claimed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US claimed
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP claimed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP claimed
US-6118010-A CATALYTIC REDUCTION OF THE 1-ALKOXYCARBONYL-3-OXO-3-PHENYLPROPYL DERIVATIVE KANEKA CORPORATION (JP) 2000-09-12 US claimed
EP-0903337-A1 PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES KANEKA CORPORATION (JP) 1999-03-24 EP claimed
EP-0187956-A2 Pharmaceutical composition for the treatment of defects of the gastrointestinal mucous membrane BOEHRINGER INGELHEIM KG (DE) 1986-07-23 EP claimed
US-20110247523-A1 ORGANIC-INORGANIC COMPOSITE PARTICLES, PARTICLE DISPERSION, PARTICLE-DISPERSED RESIN COMPOSITION, AND METHOD FOR PRODUCING ORGANIC-INORGANIC COMPOSITE PARTICLES TOHOKU UNIVERSITY (JP) 2011-10-13 US disclosed
CN-102112115-A Modified release ramipril compositions and uses thereof PANACEA BIOTEC LTD 2011-06-29 CN disclosed
CN-1530102-B Medical preparation containing alpha-thioctan, ambroxol and/or ACE inhibiting agent and its use in treating neurodegenerative diseases MAIN NERVE TECHNOLOGY AG 2010-12-08 CN disclosed
EP-1679303-B1 Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative KANEKA CORP (JP) 2010-09-15 EP disclosed
CN-101489550-A Stable pharmaceutical compositions of 2-aza-bicyclo [3.3.0] -octane-3-carboxylic acid derivatives TEVA PHARMA (IL) 2009-07-22 CN disclosed
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
WO-1997045422-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE 10-AMINOALIPHATYL-DIBENZ[b,f]OXEPINE SALTS NOVARTIS AG (CH) 1997-12-04 WO disclosed
US-5677281-A ADMINISTERING ARALKYLPHOSPHONYL TRIPEPTIDE TO INHIBIT SPECIFIED ENDOPEPTIDASES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1997-10-14 US disclosed
CN-1127504-A Substituted 2-phenylpyridines with herbicidal action BASF AG (DE) 1996-07-24 CN disclosed
EP-0565450-A1 Use of peptide derivatives for the manufacture of medicaments inhibiting endopeptidases 24.15 and 24.16 COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1993-10-13 EP disclosed
EP-0336368-A2 N2-(1-carboxy-3-phenylpropyl)-L-lysine derivative and process of producing lysinopril using the compound KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-10-11 EP disclosed
EP-0187956-A2 Pharmaceutical composition for the treatment of defects of the gastrointestinal mucous membrane BOEHRINGER INGELHEIM KG (DE) 1986-07-23 EP disclosed
US-4602002-A N-carboxymethyl substituted lysyl and α-(ε-aminoalkyl) glycyl amino acid antihypertensive agents MERCK & CO., INC. (US) 1986-07-22 US disclosed