SCHEMBL1629287

SCHEMBL1629287

CCCCCCC(CCCC)C(=O)N(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
MAPK1 P28482 1/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
GPR84 Q9NQS5 5/20 0.40
CA1 P00915 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL849829 0.98 CA2 (0.47) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL7777862 0.98 CA2 (0.47) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL850537 0.98 CA2 (0.47) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL3960168 0.91 CA2 (0.44) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL12524250 0.89 CA2 (0.40) CA2MAPK1GPR84CA1FFAR1
SCHEMBL2638231 0.88 GPR84 (0.42) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL16389959 0.87 CA2 (0.52) CA2MAPK1CA1MAPTSLC1A2
SCHEMBL13003584 0.87 CA2 (0.50) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL20840951 0.85 CA2 (0.47) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL10013916 0.84 CA2 (0.48) CA2MAPK1CA1MAPTSLC1A2

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
US-20110093246-A1 Modeling Systems for Consumer Goods STANTON DAVID THOMAS 2011-04-21 US disclosed
EP-2013826-A2 MODELING SYSTEMS FOR CONSUMER GOODS The Procter and Gamble Company (US) 2009-01-14 EP disclosed
US-20080040082-A1 Modeling systems for consumer goods THE PROCTER & GAMBLE COMPANY 2008-02-14 US disclosed
US-20080027575-A1 Modeling systems for health and beauty consumer goods PROCTER & GAMBLE COMPANY, THE 2008-01-31 US disclosed
WO-2007122582-A2 MODELING SYSTEMS FOR CONSUMER GOODS THE PROCTER & GAMBLE COMPANY (US) 2007-11-01 WO disclosed