SCHEMBL9115544

SCHEMBL9115544

CCCC(C)OC(=O)CC(C(=O)OC(C)CCC)S(=O)(=O)O.CCCCOC(=O)CC(C(=O)OCCCC)S(=O)(=O)O.[Na].[Na]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
FAAH O00519 5/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL6128388 0.87 RECQL (0.46) RECQLFAAHCNR1CNR2NPSR1
SCHEMBL29923901 0.85 RECQL (0.52) RECQLFAAHCNR1CNR2MAPT
SCHEMBL5155385 0.85 RECQL (0.44) RECQLFAAHCNR1CNR2HDAC3
SCHEMBL31400320 0.85 RECQL (0.57) RECQLFAAHNPSR1MAPTMAPK1
SCHEMBL8408859 0.84 RECQL (0.54) RECQLFAAHCNR1CNR2MAPT
SCHEMBL41720 0.84 RECQL (0.59) RECQLFAAHNPSR1MAPTMAPK1
SCHEMBL20773925 0.83 RECQL (0.52) RECQLFAAHCNR1CNR2MAPT
SCHEMBL2437880 0.83 RECQL (0.52) RECQLFAAHCNR1CNR2MAPT
SCHEMBL6121600 0.83 FAAH (0.50) RECQLFAAHCNR1CNR2MAPT
SCHEMBL552699 0.82 RECQL (0.57) RECQLFAAHNPSR1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660696-A1 LIPSTICKS. PROCTER & GAMBLE (US) 1995-07-05 EP disclosed
WO-1994006400-A1 LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1994-03-31 WO disclosed