SCHEMBL4058108

SCHEMBL4058108

CCCCC(OC)C(C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
CA1 P00915 5/20 0.41
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC15A1 P46059 1/20 0.34
ABCB1 P08183 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4056210 0.94 FAAH (0.44) CA2CA1FAAHZDHHC7ABCB1
SCHEMBL13644297 0.82 CA2 (0.47) CA2CA1MAPK1ZDHHC7SLC15A1
SCHEMBL16155348 0.79 CYP3A4 (0.32) CYP3A4
SCHEMBL1783149 0.78 TSHR (0.33) CA2CA1SLC15A1TSHR
SCHEMBL1783147 0.78 TSHR (0.33) CA2CA1SLC15A1TSHR
SCHEMBL22114205 0.77 CA1 (0.32) CA2CA1
SCHEMBL1660680 0.76 PTPN1 (0.32) CA2CA1ALDH1A1
SCHEMBL1660681 0.76 PTPN1 (0.32) CA2CA1ALDH1A1
SCHEMBL31284200 0.75 DNM1 (0.41) CA2CA1MAPK1ZDHHC7ALDH1A1
SCHEMBL16155368 0.74 CYP2D6 (0.38) TSHR

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