SCHEMBL179839

SCHEMBL179839

O=S(=O)(O)CCCC1=NCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NOS3 P29474 2/20 0.42
NOS2 P35228 1/20 0.42
MAOA P21397 3/20 0.39
CES1 P23141 1/20 0.37
GLA P06280 1/20 0.36
RCE1 Q9Y256 1/20 0.36
NPC1 O15118 1/20 0.36
OPRD1 P41143 1/20 0.34
MAPT P10636 1/20 0.32
CYP19A1 P11511 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1553541 0.96 KDM4E (0.50) KDM4EALDH1A1NOS3NOS2MAOA
SCHEMBL27577140 0.78 KDM4E (0.53) KDM4EALDH1A1NOS3NOS2MAOA
SCHEMBL9095677 0.78 KDM4E (0.55) KDM4EALDH1A1NOS3NOS2MAOA
SCHEMBL29868676 0.77 KDM4E (0.51) KDM4EALDH1A1NOS3NOS2MAOA
SCHEMBL7759078 0.77 KDM4E (0.51) KDM4EALDH1A1NOS3NOS2MAOA
SCHEMBL4764699 0.76 MEN1 (0.51) KDM4EALDH1A1NOS3NOS2MAOA
SCHEMBL27996594 0.76 MEN1 (0.51) KDM4EALDH1A1NOS3NOS2MAOA
SCHEMBL4778415 0.74 KDM4E (0.55) KDM4EALDH1A1NOS3NOS2MAOA
SCHEMBL28340518 0.74 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL29868935 0.73 KDM4E (0.61) KDM4EALDH1A1NOS3NOS2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556140-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS The Procter & Gamble Company (US) 2013-02-13 EP claimed
EP-1025194-B2 BLEACHING COMPOSITIONS COMPRISING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS GENENCOR INT (US) 2012-01-04 EP claimed
WO-2011127102-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 2011-10-13 WO claimed
US-20110240510-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY 2011-10-06 US claimed
EP-1027418-B2 CLEANING COMPOSITIONS CONTAINING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS GENENCOR INT (US) 2011-01-19 EP claimed
EP-1398367-B1 Cleaning compositions containing multiply-substituted protease variants GENENCOR INT (US) 2008-12-10 EP claimed
EP-1025194-B1 BLEACHING COMPOSITIONS COMPRISING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS GENENCOR INT (US) 2008-12-10 EP claimed
EP-1027418-B1 CLEANING COMPOSITIONS CONTAINING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS GENENCOR INT (US) 2008-07-02 EP claimed
EP-1496104-B1 Liquid activator composition PROCTER & GAMBLE (US) 2008-05-07 EP claimed
WO-2005005590-A1 LIQUID ACTIVATOR COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2005-01-20 WO claimed
JP-2001520308-A 2001-10-30 JP claimed
JP-2001520307-A 2001-10-30 JP claimed
EP-1082404-A2 MULTIPLY-SUBSTITUTED PROTEASE VARIANT AND AMYLASE VARIANT-CONTAINING CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-03-14 EP claimed
EP-1027418-A1 CLEANING COMPOSITIONS CONTAINING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS THE PROCTER & GAMBLE COMPANY (US) 2000-08-16 EP claimed
EP-1025194-A1 BLEACHING COMPOSITIONS COMPRISING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS THE PROCTER & GAMBLE COMPANY (US) 2000-08-09 EP claimed
WO-1999020727-A9 CLEANING COMPOSITIONS CONTAINING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS PROCTER & GAMBLE (US) 1999-09-02 WO claimed
WO-1999020723-A9 MULTIPLY-SUBSTITUTED PROTEASE VARIANT AND AMYLASE VARIANT-CONTAINING CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 1999-09-02 WO claimed
WO-1999020727-A1 CLEANING COMPOSITIONS CONTAINING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-29 WO claimed
WO-1999020723-A2 MULTIPLY-SUBSTITUTED PROTEASE VARIANT AND AMYLASE VARIANT-CONTAINING CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-04-29 WO claimed
WO-1999020726-A1 BLEACHING COMPOSITIONS COMPRISING MULTIPLY-SUBSTITUTED PROTEASE VARIANTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-29 WO claimed