SCHEMBL4630838

SCHEMBL4630838

CCCC/C=C/C(=O)OC.CCCC/C=C/C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
ALDH1A1 P00352 1/20 0.57
HCAR2 Q8TDS4 5/20 0.46
ATM Q13315 1/20 0.46
FAAH O00519 2/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PRKCA P17252 1/20 0.38

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
SCHEMBL4630840 1.00 MAPT (0.64) MAPTALDH1A1HCAR2ATMFAAH
SCHEMBL2618106 0.93 MAPT (0.72) MAPTALDH1A1HCAR2ATMFAAH
SCHEMBL1885350 0.93 MAPT (0.72) MAPTALDH1A1HCAR2ATMFAAH
SCHEMBL264932 0.91 HCAR2 (0.50) MAPTALDH1A1HCAR2ATMKEAP1
SCHEMBL1879680 0.91 HCAR2 (0.50) MAPTALDH1A1HCAR2ATMKEAP1
SCHEMBL9527552 0.91 HCAR2 (0.50) MAPTALDH1A1HCAR2ATMKEAP1
Phosphoric Acid SCHEMBL3668643 0.87 MAPT (0.66) MAPTALDH1A1HCAR2ATMFAAH
Phosphoric Acid SCHEMBL3668645 0.87 MAPT (0.66) MAPTALDH1A1HCAR2ATMFAAH
SCHEMBL872986 0.87 MAPT (0.70) MAPTALDH1A1HCAR2ATMFAAH
SCHEMBL872985 0.87 MAPT (0.70) MAPTALDH1A1HCAR2ATMFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247966-A1 Compositions and Methods to Counteract Oral Malodour GIVAUDAN SA (CH) 2008-10-09 US disclosed
EP-1919566-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR Givaudan SA (CH) 2008-05-14 EP disclosed
WO-2007025401-A1 COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR GIVAUDAN SA (CH) 2007-03-08 WO disclosed