SCHEMBL407260

SCHEMBL407260

CCCCCCCCCCCCCCCCCC(=O)OC(C)[N+](C)(C)C(C)OC(=O)CCCCCCCCCCCCCCCCC.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 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
MAPT P10636 6/20 0.47
SLC25A20 O43772 3/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
HIF1A Q16665 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
MAPK1 P28482 5/20 0.46
GMNN O75496 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45

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
SCHEMBL3371269 0.92 SLC6A5 (0.53) LMNAMAPTSLC6A5ALDH1A1
SCHEMBL5153311 0.88 LMNA (0.67) LMNAMAPTSLC25A20TP53TSHR
SCHEMBL7134196 0.88 LMNA (0.67) LMNAMAPTSLC25A20TP53TSHR
SCHEMBL9105779 0.87 LMNA (0.51) LMNAMAPTSLC25A20TP53TSHR
Hydrochloric Acid SCHEMBL243868 0.86 LMNA (0.65) LMNAMAPTSLC25A20TP53TSHR
Hydrochloric Acid SCHEMBL5907094 0.86 LMNA (0.65) LMNAMAPTSLC25A20TP53TSHR
SCHEMBL1800357 0.85 MAPT (0.48) LMNAMAPTSLC25A20TP53TSHR
SCHEMBL18204276 0.85 LMNA (0.47) LMNAMAPTSLC25A20TP53TSHR
SCHEMBL5824303 0.81 SLC6A5 (0.50) LMNAMAPTSLC6A5ALDH1A1
SCHEMBL6740155 0.80 SLC6A5 (0.51) MAPTSLC6A5MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021959-A1 Muttiple Use Fabric Conditioning Composition With Blooming Perfume MORGAN III GEORGE KAVIN (US) 2012-01-26 US disclosed
US-20100331225-A1 Multiple Use Fabric Conditioning Composition with Aminosilicone THE PROCTER & GAMBLE COMPANY 2010-12-30 US disclosed
US-7524809-B2 Multiple use fabric conditioning composition with improved perfume THE PROCTER & GAMBLE COMPANY (US) 2009-04-28 US disclosed
US-20050192204-A1 Multiple use fabric conditioning composition with improved perfume PROCTER & GAMBLE COMPANY, THE 2005-09-01 US disclosed