SCHEMBL9518

SCHEMBL9518

COc1cc(COC=O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
CYP3A4 P08684 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 2/20 0.55
ALOX15 P16050 1/20 0.55
PRKDC P78527 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
CYP2D6 P10635 2/20 0.51
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
CYP2C19 P33261 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL18627466 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL4967072 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL5058658 0.83 ALDH1A1 (0.56) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL12978933 0.83 ALDH1A1 (0.56) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL6437971 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL16033288 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL8690 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL8914862 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL124590 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL3645769 0.80 ALDH1A1 (0.59) ALDH1A1CYP3A4KDM4EMAPTALOX15

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

Appears in 3105 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
US-20210300932-A1 CYCLIC PEPTIDES TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2021-09-30 US claimed
US-11072616-B2 Cyclic peptides targeting alpha-4-beta-7 integrin UNIVERSITE DE MONTREAL (CA) 2021-07-27 US claimed
WO-2020022892-A1 TUBULYSIN DERIVATIVES AND METHODS FOR PREPARING THE SAME RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-01-30 WO claimed
EP-2461805-B1 SPECTINAMIDES AS ANTI-TUBERCULOSIS AGENTS UNIV TENNESSEE RES FOUND (US) 2017-11-01 EP claimed
EP-3137554-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS Ecole Normale Superieure De Lyon (FR) 2017-03-08 EP claimed
EP-2267165-B1 Nucleic acid sequence analysis GEN PROBE INC (US) 2016-11-30 EP claimed
US-9200006-B2 Protease inhibitors MEDIVIR AB (SE) 2015-12-01 US claimed
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 WO claimed
EP-0370283-B1 Process for preparing 63-carboxyamides of teicoplanin antibiotics LEPETIT SPA (IT) 1994-06-15 EP claimed
EP-0560795-A1 38-DECARBOXY-38-HYDROXYMETHYL DERIVATIVES OF TEICOPLANIN ANTIBIOTICS, AND A PROCESS FOR PREPARING THEM. LEPETIT SPA (IT) 1993-09-22 EP claimed
WO-1993012115-A1 7'-AMINO-NAPHTHAZARIN ANTIBIOTIC DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1993-06-24 WO claimed
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP claimed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP claimed
EP-0340245-B1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS GRUPPO LEPETIT S.p.A. (IT) 1992-08-19 EP claimed
WO-1992010516-A1 38-DECARBOXY-38-HYDROXYMETHYL DERIVATIVES OF TEICOPLANIN ANTIBIOTICS, AND A PROCESS FOR PREPARING THEM GRUPPO LEPETIT S.P.A. (IT) 1992-06-25 WO claimed
EP-0218099-B1 AMIDES OF TEICOPLANIN COMPOUNDS GRUPPO LEPETIT S.p.A. (IT) 1991-12-11 EP claimed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 WO claimed
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP claimed