SCHEMBL4053538

SCHEMBL4053538

COC(C=CCC(C)C)CCC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4057581 0.82 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL4061361 0.78 FPR2 (0.36) ALDH1A1TDP1
SCHEMBL4064394 0.72 TDP1 (0.30) TDP1
SCHEMBL4064329 0.68 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL1784298 0.67 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL1784295 0.67 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL10439675 0.66
SCHEMBL1786691 0.66 ALDH1A1 (0.48) ALDH1A1TDP1
SCHEMBL1786690 0.66 ALDH1A1 (0.48) ALDH1A1TDP1
SCHEMBL1781637 0.66 CA1 (0.30)

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