SCHEMBL5439561

SCHEMBL5439561

CCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)O.COS(=O)(=O)[O-]

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
TP53 P04637 1/20 0.40
BLM P54132 1/20 0.40
CA1 P00915 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
CA2 P00918 1/20 0.35
SMPD1 P17405 3/20 0.34
PSMD14 O00487 2/20 0.34
PLA2G1B P04054 2/20 0.34
MMP2 P08253 2/20 0.34
ATG4B Q9Y4P1 2/20 0.34
ACE2 Q9BYF1 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAD52 P43351 1/20 0.34
MMP9 P14780 2/20 0.34

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
SCHEMBL4623732 0.88 TP53 (0.43) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28570773 0.87 RECQL (0.42) RECQLGLAHPGDTSHRMAPK1
SCHEMBL938334 0.86 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28952158 0.86 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
SCHEMBL11123412 0.84 RECQL (0.38) RECQLGLAHPGDTSHRMAPK1
SCHEMBL238534 0.82 SPHK1 (0.45) TP53CA1PSMD14PLA2G1BMMP2
SCHEMBL1838532 0.82 SPHK1 (0.45) TP53CA1PSMD14PLA2G1BMMP2
SCHEMBL239716 0.82 SPHK1 (0.45) TP53CA1PSMD14PLA2G1BMMP2
SCHEMBL239692 0.82 SPHK1 (0.45) TP53CA1PSMD14PLA2G1BMMP2
SCHEMBL15646327 0.82 SPHK1 (0.45) TP53CA1PSMD14PLA2G1BMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267077-A CATIONIC SURFACTANT, ANIONIC SURFACTANT AND A SOLVENT; SOFTENING AND ANTISTATIC KAO SOAP CO., LTD. (JP) 1981-05-12 US claimed
US-20070118998-A1 Methods for laundering delicate garments in a washing machine THE PROCTER & GAMBLE COMPANY (US) 2007-05-31 US disclosed
US-7185380-B2 Methods for laundering delicate garments in a washing machine comprising a woven acrylic coated polyester garment container THE PROCTER & GAMBLE COMPANY (US) 2007-03-06 US disclosed
EP-1422334-A2 Methods for laundering delicate garments in a washing machine The Procter & Gamble Company (US) 2004-05-26 EP disclosed
US-20030008799-A1 Methods for laundering delicate garments in a washing machine THE PROCTER & GAMBLE COMPANY (US) 2003-01-09 US disclosed
EP-1222331-A2 METHODS FOR LAUNDERING DELICATE GARMENTS IN A WASHING MACHINE The Procter & Gamble Company (US) 2002-07-17 EP disclosed
WO-2001025525-A2 METHODS FOR LAUNDERING DELICATE GARMENTS IN A WASHING MACHINE THE PROCTER & GAMBLE COMPANY (US) 2001-04-12 WO disclosed
US-4267077-A CATIONIC SURFACTANT, ANIONIC SURFACTANT AND A SOLVENT; SOFTENING AND ANTISTATIC KAO SOAP CO., LTD. (JP) 1981-05-12 US disclosed