SCHEMBL532487

SCHEMBL532487

CC(=O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
GPR35 Q9HC97 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PDE7A Q13946 1/20 0.52
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL30527129 1.00 MAPK1 (0.56) MAPK1ALDH1A1TSHRGPR35TP53
SCHEMBL4305881 0.85 GPR35 (0.56) MAPK1ALDH1A1TSHRGPR35MEN1
SCHEMBL7103159 0.85 VCAM1 (0.65) MAPK1ALDH1A1TSHRGPR35TP53
SCHEMBL2156599 0.85 MAPK1 (0.60) MAPK1ALDH1A1TSHRGPR35TP53
SCHEMBL11690925 0.85 CASP6 (0.69) MAPK1ALDH1A1TSHRMEN1KMT2A
SCHEMBL12857714 0.84 MAPK1 (0.55) MAPK1ALDH1A1TSHRGPR35TP53
SCHEMBL106249 0.83 CASP6 (0.72) MAPK1ALDH1A1TSHRGPR35TP53
SCHEMBL2636747 0.83 CASP6 (0.72) MAPK1ALDH1A1TSHRGPR35TP53
SCHEMBL17347336 0.83 PKM (0.50) MAPK1ALDH1A1MEN1KMT2AMAPT
Ethylene SCHEMBL9423474 0.82 POLB (0.44) MAPK1ALDH1A1TSHRGPR35TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4483376-A1 MEASUREMENT, DIAGNOSIS, TREATMENT AND MANAGEMENT OF METABOLIC SYNDROME García Sada, Fernando (MX) 2025-01-01 EP claimed
CN-118922890-A Measurement, diagnosis, treatment and management of metabolic syndrome 费尔南多·加西亚·萨达 2024-11-08 CN claimed
CN-115819243-B Preparation method of 4-hydroxy-3-nitroacetophenone 浙江理工大学 2024-03-29 CN claimed
WO-2023161832-A1 MEASUREMENT, DIAGNOSIS, TREATMENT AND MANAGEMENT OF METABOLIC SYNDROME GARCIA SADA FERNANDO (MX) 2023-08-31 WO claimed
US-20230266340-A1 Measurement, Diagnosis, Treatment and Management of Metabolic Syndrome SILTI AG (CH) 2023-08-24 US claimed
CN-116102426-A Wide-absorption polymerizable ketene photoinitiator and preparation method and application thereof 合肥工业大学 2023-05-12 CN claimed
CN-115819243-A Preparation method of 4-hydroxy-3-nitroacetophenone 浙江理工大学 2023-03-21 CN claimed
CN-115093329-A Preparation method of 1- (4- (benzyloxy) -3-nitrophenyl) -2-bromoethanone 汉瑞药业(荆门)有限公司 2022-09-23 CN claimed
CN-108358791-A A kind of preparation method of 3- nitros -4- benzyloxy -2- bromoacetophenones 南京法恩化学有限公司 2018-08-03 CN claimed
US-9870909-B2 Compositions and methods for mass spectometry MSTM, LLC 2018-01-16 US claimed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 WO claimed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-6461417-B1 Ink compositions XEROX CORPORATION 2002-10-08 US claimed
WO-1994014751-A1 SUBSTITUTED BUTENOIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 WO claimed
US-4181681-A 2-Amino-4-ethynylphenol THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-01-01 US claimed