SCHEMBL671557

SCHEMBL671557

NC(CCCC(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TBXAS1 P24557 1/20 0.46
ENPEP Q07075 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 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
SCHEMBL10356118 1.00 LTA4H (0.49) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL27477537 1.00 LTA4H (0.49) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL21099020 0.94 TBXAS1 (0.53) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL372488 0.88 CYP1A2 (0.48) LTA4HMAPK1ALDH1A1CYP1A2CYP2D6
SCHEMBL12682235 0.88 CYP1A2 (0.48) LTA4HMAPK1ALDH1A1CYP1A2CYP2D6
SCHEMBL288399 0.88 CYP1A2 (0.48) LTA4HMAPK1ALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3017606 0.86 CYP1A2 (0.47) LTA4HMAPK1ALDH1A1CYP1A2CYP2D6
SCHEMBL21010165 0.84 CYP2C9 (0.49) TBXAS1ENPEPALDH1A1CYP1A2CYP2D6
SCHEMBL279848 0.84 KMT2A (0.44) ENPEPALDH1A1TSHR
SCHEMBL1702547 0.82 IDO1 (0.48) SMN1; SMN2ENPEPALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033043-B N- replaces benzenesulfonyl-substituted benzene formyl amine compound and its prepares the purposes of drug 中国人民解放军第二军医大学 2019-04-30 CN claimed
CN-107033043-A N- replaces benzenesulfonyl-substituted benzene formyl amine compound and its prepares the purposes of medicine 中国人民解放军第二军医大学 2017-08-11 CN claimed
WO-2020243402-A1 SYNERGISTS FOR QUINACRIDONE MAGENTA PIGMENTS CABOT CORPORATION (US) 2020-12-03 WO disclosed
CN-106749373-B Rubber additive and preparation and application thereof 同济大学 2020-06-26 CN disclosed
US-20190359653-A1 SELECTIVE PEPTIDE INHIBITORS OF FRIZZLED GENENTECH INC (US) 2019-11-28 US disclosed
CN-110494167-A Composition and system for renal function measurement MEDIBEACON INC 2019-11-22 CN disclosed
CN-110461332-A METHOD FOR PREPARING AND ANALYZING FLUORESCENT COMPOUNDS IN PLASMA MEDIBEACON INC 2019-11-15 CN disclosed
EP-3509616-A1 SELECTIVE PEPTIDE INHIBITORS OF FRIZZLED H. Hoffnabb-La Roche Ag (CH) 2019-07-17 EP disclosed
WO-2018049275-A1 SELECTIVE PEPTIDE INHIBITORS OF FRIZZLED GENENTECH, INC. (US) 2018-03-15 WO disclosed
WO-2017205786-A1 CELL PERMEABLE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2017-11-30 WO disclosed
EP-2895857-A2 REGULATING BACILLUS ANTHRACIS LETHAL FACTOR ACTIVITY VIA AN ACTIVATING EPITOPE REGION The United States of America, as represented by The Secretary, Health and Human Services (US) 2015-07-22 EP disclosed
WO-2012024100-A2 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
US-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
CN-1092767-A Promote spiroperidol and homologue that tethelin discharges MERCK & CO INC (US) 1994-09-28 CN disclosed
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed