SCHEMBL2945931

SCHEMBL2945931

CCCCCC(C)OOC(=O)CCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
LMNA P02545 2/20 0.43
CA1 P00915 2/20 0.41
NFKB1 P19838 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GPR84 Q9NQS5 3/20 0.40
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
FFAR1 O14842 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
SCHEMBL12486172 0.94 ALDH1A1 (0.41) FAAHCNR1CNR2LMNACA1
SCHEMBL11068862 0.91 LMNA (0.55) FAAHCNR1CNR2LMNAALDH1A1
SCHEMBL21711304 0.91 LMNA (0.55) FAAHCNR1CNR2LMNAALDH1A1
SCHEMBL8761882 0.91 LMNA (0.55) FAAHCNR1CNR2LMNAALDH1A1
SCHEMBL28226286 0.89 LMNA (0.52) FAAHCNR1CNR2LMNAALDH1A1
SCHEMBL7954263 0.86 FFAR4 (0.49) FAAHCNR1CNR2ALDH1A1GPR84
SCHEMBL7945815 0.86 FFAR4 (0.49) FAAHCNR1CNR2ALDH1A1GPR84
SCHEMBL7954272 0.86 FFAR4 (0.49) FAAHCNR1CNR2ALDH1A1GPR84
SCHEMBL7954243 0.86 FFAR4 (0.49) FAAHCNR1CNR2ALDH1A1GPR84
SCHEMBL7954840 0.86 FFAR4 (0.49) FAAHCNR1CNR2ALDH1A1GPR84

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
EP-2167024-A2 COOLING COMPOUNDS Givaudan SA (CH) 2010-03-31 EP claimed
WO-2008151460-A2 COOLING COMPOUNDS GIVAUDAN SA (CH) 2008-12-18 WO claimed
EP-2167024-A2 COOLING COMPOUNDS Givaudan SA (CH) 2010-03-31 EP disclosed
WO-2008151460-A2 COOLING COMPOUNDS GIVAUDAN SA (CH) 2008-12-18 WO disclosed