SCHEMBL2507765

SCHEMBL2507765

CC(O)CN(C)CC(C)O.COS(=O)(=O)O

nearest known ligand 0.36

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 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CD O00329 1/20 0.30
GRIN1 Q05586 1/20 0.30

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
SCHEMBL2550545 0.87
SCHEMBL29415558 0.85 PIK3CD (0.32) PIK3CD
SCHEMBL28420946 0.83 KCNA5 (0.30)
SCHEMBL8319259 0.82 CA1 (0.32)
SCHEMBL28743565 0.79 L3MBTL1 (0.36) KMT2A
Trimethylammonium SCHEMBL27895074 0.78 CA1 (0.31)
SCHEMBL24464156 0.78 TSHR (0.41) PIK3CD
SCHEMBL14216838 0.78 TSHR (0.41) PIK3CD
SCHEMBL12659394 0.78 TSHR (0.41) PIK3CD
SCHEMBL13604142 0.78 TSHR (0.41) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183199-B2 Heat stable fabric softener THE PROCTER & GAMBLE COMPANY (US) 2012-05-22 US disclosed
US-20110239378-A1 Heat Stable Fabric Softener THE PROCTER & GAMBLE COMPANY 2011-10-06 US disclosed
EP-0799293-A4 CLEANING AND SURFACE CONDITIONING OF FORMED METAL SURFACES HENKEL CORP (US) 1999-04-28 EP disclosed
EP-0793738-B1 ANTICORROSIVE AND FRICTION-REDUCING TREATMENT OF METALLIC SURFACES HENKEL KGAA (DE) 1999-04-14 EP disclosed
EP-0799293-A1 CLEANING AND SURFACE CONDITIONING OF FORMED METAL SURFACES HENKEL CORPORATION (US) 1997-10-08 EP disclosed
WO-1996019553-A1 CLEANING AND SURFACE CONDITIONING OF FORMED METAL SURFACES HENKEL CORPORATION (US) 1996-06-27 WO disclosed