SCHEMBL4838546

SCHEMBL4838546

CC(=O)c1ccc(C2CN(C)CCO2)cc1.COS(=O)(=O)O

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 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
SCHEMBL4836281 0.90 DRD3 (0.43) LMNADRD3DRD2ALDH1A1SMN1; SMN2
Nitric Acid SCHEMBL8345680 0.82 LMNA (0.41) LMNADRD3DRD2ALDH1A1SMN1; SMN2
SCHEMBL15109816 0.74 USP30 (0.43) LMNADRD3DRD2SMN1; SMN2MEN1
SCHEMBL24394579 0.73 CYP2D6 (0.46) DRD2
SCHEMBL2296793 0.73 CYP2D6 (0.38) DRD3DRD2ALDH1A1HRH3KDM4E
SCHEMBL2295961 0.73 CYP2D6 (0.38) DRD3DRD2ALDH1A1HRH3KDM4E
SCHEMBL972020 0.72 DRD3 (0.47) DRD3
SCHEMBL10747371 0.71 PDE10A (0.46) DRD3DRD2
SCHEMBL2298311 0.70 DRD3 (0.41) DRD3DRD2HRH3
SCHEMBL2299971 0.70 PDE10A (0.47) DRD3MEN1KMT2A

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 21 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-1999023294-A1 PROCESSES OF BLEACHING FABRICS 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
US-20050032660-A1 Storing a composition in an alcoholic gel TRUOX, INC. 2005-02-10 US disclosed
WO-1999023197-A1 PROCESSES OF SOAKING FABRICS WITH A LIQUID AQUEOUS PERSULFATE SALT-CONTAINING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO disclosed
WO-1999023294-A1 PROCESSES OF BLEACHING FABRICS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO disclosed
WO-1999023195-A1 MULTI-PURPOSE LIQUID AQUEOUS BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 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