SCHEMBL8768310

SCHEMBL8768310

O=C1NC(c2cccc3ccccc23)CCC1=S(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
PLA2G6 O60733 4/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 2/20 0.40
MTNR1A P48039 2/20 0.40
FAAH O00519 1/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
TRPC6 Q9Y210 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8543004 0.74 MTNR1A (0.48) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL8544148 0.72 MTNR1A (0.47) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL27259312 0.72 MTNR1A (0.45) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL29144902 0.72 MTNR1A (0.45) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL28905026 0.71 AR (0.42) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL5083830 0.71 IDO1 (0.58) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL24017028 0.70 MTNR1A (0.54) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL4802338 0.68 IDO1 (0.51) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL1763199 0.68 KDM1A (0.50) IDO1PLA2G6MAPK1ALDH1A1MAPT
SCHEMBL1763476 0.68 KDM1A (0.50) IDO1PLA2G6MAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792345-A1 BLEACHING COMPOSITIONS AND BLEACH-ADDITIVES COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP claimed
EP-0792343-A1 USE OF BLEACH ACTIVATORS FOR LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP claimed
WO-1996016155-A1 BLEACHING COMPOSITIONS AND BLEACH-ADDITIVES COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-05-30 WO claimed
WO-1996016156-A1 USE OF BLEACH ACTIVATORS FOR LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-05-30 WO claimed
US-5635104-A Bleaching solutions and method utilizing selected bleach activators effective at low perhydroxyl concentrations THE PROCTER & GAMBLE COMPANY (US) 1997-06-03 US disclosed