SCHEMBL4059679

SCHEMBL4059679

CCC(=O)CCC(CC(C)C)OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 1/20 0.33
CA1 P00915 1/20 0.30

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
SCHEMBL4053863 0.80 ALDH1A1 (0.36) TDP1CTSKCA1
SCHEMBL4059414 0.80 TDP1 (0.36) TDP1CTSK
SCHEMBL16171990 0.78 CA1 (0.31) CTSKCA1
SCHEMBL108580 0.74
SCHEMBL4065313 0.74 TDP1 (0.38) TDP1CA1
SCHEMBL4054598 0.73 KDM1A (0.37) TDP1CTSKCA1
SCHEMBL4055802 0.73 CACNA2D1 (0.33) CTSK
SCHEMBL16171995 0.73 CACNA2D1 (0.31)
Acetone SCHEMBL27889121 0.70 CA1 (0.48) TDP1CA1
SCHEMBL16171994 0.70 CA1 (0.48) TDP1CA1

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