SCHEMBL5983777

SCHEMBL5983777

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
TSHR P16473 1/20 0.42
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
IDO1 P14902 2/20 0.40
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PLA2G4B P0C869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8601137 0.85 AKR1C3 (0.53) AKR1C3TSHRPGK1PGK2IDO1
SCHEMBL735220 0.83 AKR1C3 (0.44) AKR1C3TSHRPGK1PGK2IDO1
SCHEMBL5331963 0.82 AKR1C3 (0.67) AKR1C3TSHRPGK1PGK2IDO1
SCHEMBL11378806 0.77 AKR1C3 (0.46) AKR1C3TSHRPGK1PGK2IDO1
SCHEMBL2374254 0.77 AKR1C3 (0.42) AKR1C3TSHRPGK1PGK2IDO1
SCHEMBL5983772 0.74 AKR1C3 (0.81) AKR1C3TSHRPGK1PGK2IDO1
SCHEMBL5069158 0.74 AKR1C3 (1.00) AKR1C3TSHRPGK1PGK2IDO1
SCHEMBL3625606 0.74 TSHR (0.42) AKR1C3TSHRNPC1RAB9AALDH1A1
SCHEMBL35321 0.73 CA1 (0.55) AKR1C3TSHRCA1CA2CES2
SCHEMBL8600352 0.72 IDO1 (0.39) AKR1C3TSHRIDO1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
EP-1664341-B1 SIZE-CONTROLLED MACROMOLECULE POSCO (KR) 2013-01-30 EP disclosed
EP-1664341-A2 SIZE-CONTROLLED MACROMOLECULE Posco (KR) 2006-06-07 EP 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
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