SCHEMBL4830772

SCHEMBL4830772

CC(=O)c1cc[n+](C)cc1.O=[N+]([O-])[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 2/20 0.38
APOBEC3A P31941 3/20 0.38
APOBEC3G Q9HC16 3/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
HSD17B1 P14061 1/20 0.38
USP2 O75604 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL30505 0.89 HPGD (0.46) MAPK1ALDH1A1MAPTLMNAKMT2A
Acetic Acid SCHEMBL145430 0.87 MAPK1 (0.47) MAPK1ALDH1A1MAPTLMNAKMT2A
Iodide SCHEMBL10670645 0.87 APOBEC3A (0.46) MAPK1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL1712117 0.87 HPGD (0.44) MAPK1ALDH1A1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL152518 0.87 HPGD (0.44) MAPK1ALDH1A1MAPTLMNAKMT2A
Bromide SCHEMBL145328 0.87 HPGD (0.44) MAPK1ALDH1A1MAPTLMNAKMT2A
SCHEMBL31034848 0.82 TSHR (0.52) MAPK1ALDH1A1MAPTLMNAKMT2A
Sulfuric Acid SCHEMBL140509 0.82 USP2 (0.40) MAPK1ALDH1A1MAPTLMNAKMT2A
SCHEMBL6553185 0.82 USP2 (0.40) MAPK1ALDH1A1MAPTLMNAKMT2A
Sulfuric Acid SCHEMBL140508 0.82 USP2 (0.40) MAPK1ALDH1A1MAPTLMNAKMT2A

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
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US claimed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO claimed
US-20050032660-A1 Storing a composition in an alcoholic gel TRUOX, INC. 2005-02-10 US claimed
WO-1999023196-A1 LIQUID AQUEOUS BLEACHING COMPOSITIONS PACKAGED IN A UV RESISTANT CONTAINER THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023294-A1 PROCESSES OF BLEACHING FABRICS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023197-A1 PROCESSES OF SOAKING FABRICS WITH A LIQUID AQUEOUS PERSULFATE SALT-CONTAINING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023195-A1 MULTI-PURPOSE LIQUID AQUEOUS BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
EP-0915150-A1 Processes of soaking fabrics with a liquid aqueous persulfate salt-containing composition THE PROCTER & GAMBLE COMPANY (US) 1999-05-12 EP claimed
EP-0913463-A1 Multi-purpose liquid aqueous bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0913515-A1 Process of bleaching fabrics THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0913462-A1 Liquid aqueous bleaching compositions packaged in a UV-resistant container THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
US-7465411-B2 Catalyst-mediated in-situ generation of dioxirane TRUOX, INC. (US) 2008-12-16 US disclosed
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US disclosed
US-20070219108-A1 Catalyst-mediated in-situ generation of dioxirane TRUOX, INC. 2007-09-20 US disclosed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO disclosed
EP-0915150-A1 Processes of soaking fabrics with a liquid aqueous persulfate salt-containing composition THE PROCTER & GAMBLE COMPANY (US) 1999-05-12 EP disclosed
EP-0913463-A1 Multi-purpose liquid aqueous bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
EP-0913462-A1 Liquid aqueous bleaching compositions packaged in a UV-resistant container THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
EP-0913515-A1 Process of bleaching fabrics THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
US-4005029-A Laundering adjunct THE PROCTER & GAMBLE COMPANY (US) 1977-01-25 US disclosed