SCHEMBL5983772

SCHEMBL5983772

O=[N+]([O-])c1ccc(COP(=O)(O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.81
IDO1 P14902 2/20 0.58
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
PGK1 P00558 1/20 0.53
PGK2 P07205 1/20 0.53
CES1 P23141 2/20 0.51
CES2 O00748 1/20 0.51
MAOB P27338 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 1/20 0.47
PLA2G4B P0C869 1/20 0.47
MAPT P10636 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
SCHEMBL5069158 0.89 AKR1C3 (1.00) AKR1C3IDO1CA1CA2PGK1
SCHEMBL5983768 0.85 AKR1C3 (0.74) AKR1C3IDO1CA1CA2PGK1
SCHEMBL735219 0.83 AKR1C3 (0.61) AKR1C3IDO1CA1CA2CES1
SCHEMBL8779946 0.83 AKR1C3 (0.71) AKR1C3IDO1CA1CA2PGK1
SCHEMBL17345002 0.82 TSHR (0.58) AKR1C3NPC1RAB9ATSHR
SCHEMBL11544092 0.82 AKR1C3 (0.70) AKR1C3IDO1CA1CA2PGK1
SCHEMBL6932050 0.82 AKR1C3 (0.70) AKR1C3IDO1CA1CA2PGK1
SCHEMBL10766432 0.82 AKR1C3 (0.70) AKR1C3IDO1CA1CA2PGK1
SCHEMBL29623809 0.80 MAOB (0.56) AKR1C3MAOBRAB9ATSHRALDH1A1
SCHEMBL5331963 0.80 AKR1C3 (0.67) AKR1C3IDO1CA1CA2PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117065801-A Composite catalyst and preparation method thereof 南开大学 2023-11-17 CN claimed
CN-118146449-A Pickering high internal phase molecularly imprinted polymer stabilized by metal organic framework material, preparation and application thereof 南开大学 2024-06-07 CN disclosed
CN-117065801-A Composite catalyst and preparation method thereof 南开大学 2023-11-17 CN disclosed
CN-117043172-A Glucocorticoid receptor agonists 伊莱利利公司 2023-11-10 CN disclosed
CN-111868022-A EBNA1 specific compounds based on zinc binding agents 香港浸会大学 2020-10-30 CN disclosed
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
CN-1882701-B Size-controlled macromole POSCO (KR) 2015-11-25 CN disclosed
CN-104558080-A New method for synthesizing cyclic phosphoric ester XI AN XINTONG PHARMACY RES CO LTD 2015-04-29 CN disclosed
CN-102702201-B Doripenem intermediate compound, preparation method and application of doripenem intermediate compound and preparation method for doripenem SHENZHEN HAIBIN PHARMACEUTICAL 2013-12-25 CN disclosed
EP-1664341-B1 SIZE-CONTROLLED MACROMOLECULE POSCO (KR) 2013-01-30 EP disclosed
CN-1699984-A Multiple channel micro-flow control chip, process for making same and use thereof UNIV FUDAN (CN) 2005-11-23 CN disclosed
CN-1218785-C Molecule print high molecular super-nucleophilic catalyst and its preparing method TIANJIN COLLEGE OF SCIENCE AND (CN) 2005-09-14 CN disclosed
WO-2005026191-A2 SIZE-CONTROLLED MACROMOLECULE POSCO (KR) 2005-03-24 WO disclosed
US-20050037413-A1 functionalized substrates bound to layers of dendrimers and to target-specific ligands, used in combinatorial chemistry, protein, nucleic acid or nucleic acid/peptide hybridization detection; medical diagnosis POSCO (KR) 2005-02-17 US disclosed
CN-1457926-A Molecule print high molecular super-nucleophilic catalyst and its preparing method TIANJIN COLLEGE OF SCIENCE AND (CN) 2003-11-26 CN disclosed
CN-1282243-A Pharmaceutical composition containing anilide derivative for antagonizing CCR5 TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN disclosed
US-5187163-A Dimers of nucleotide derivates; greater potency and less toxic than corresponding monomers; AIDS BAKER NORTON PHARMACEUTICALS, INC. (US) 1993-02-16 US disclosed
EP-0131993-B1 PHOSPHORYLATING AGENT; A PROCESS FOR THE PREPARATION THEREOF; A PROCESS FOR PHOSPHORYLATING AN ORGANIC HYDROXYL OR AMINE COMPOUND Stichting Katholieke Universiteit (NL) 1988-05-25 EP disclosed
US-4293492-A PHOTOCONDUCTIVITY, ELECTROGRAPHY, PIGMENT RICOH CO., LTD. (JP) 1981-10-06 US disclosed
US-4251614-A CARBAZOLE DERIVATIVES RICOH COMPANY, LTD. (JP) 1981-02-17 US disclosed