SCHEMBL4056210

SCHEMBL4056210

CCCCCC(OC)C(C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CA1 P00915 3/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
ABCB1 P08183 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 5/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
LMNA P02545 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL4058108 0.94 CA2 (0.41) FAAHCA1ZDHHC7ABCB1LMNA
SCHEMBL16155348 0.77 CYP3A4 (0.32)
SCHEMBL13644297 0.77 CA2 (0.47) CA1ZDHHC7ABCB1TP53CA2
SCHEMBL14174583 0.76 FFAR4 (0.46) ZDHHC7GPR84FFAR1PPARDLMNA
SCHEMBL1782449 0.75 CA1 (0.48) FAAHCA1ACE2GPR84FFAR1
SCHEMBL1047932 0.74 SPHK1 (0.47) FAAHZDHHC7GPR84FFAR1MAPT
SCHEMBL1785198 0.74 ZDHHC7 (0.46) FAAHCA1ZDHHC7GPR84FFAR1
SCHEMBL4054463 0.74 SPHK1 (0.52) FAAHCA1ABCB1GPR84FFAR1
SCHEMBL1782795 0.73 FAAH (0.44) FAAHCA1ZDHHC7ABCB1ACE2
SCHEMBL16155368 0.73 CYP2D6 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed