SCHEMBL4065313

SCHEMBL4065313

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.33
PSMB5 P28074 2/20 0.33
KISS1R Q969F8 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
FOLH1 Q04609 2/20 0.31
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
FFAR1 O14842 1/20 0.31
PLA2G10 O15496 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
SCHEMBL4056280 0.88 NFKB1 (0.39) TDP1CA1GPR84RNPEPFFAR4
SCHEMBL4060906 0.85 PSMB5 (0.37) CA1PSMB5KISS1RGPR84RNPEP
SCHEMBL5298847 0.79 TDP1 (0.43) TDP1GPR84FFAR4FFAR1
SCHEMBL108580 0.79
SCHEMBL5439216 0.79
SCHEMBL4057035 0.77 TDP1 (0.41) TDP1PSMB5KISS1RRNPEPSLC7A5
SCHEMBL3901922 0.77 GABRP (0.50) RNPEPFOLH1FFAR4FFAR1PLA2G10
SCHEMBL11040660 0.77 THRB (0.42) TDP1GPR84FFAR4FFAR1
SCHEMBL9246597 0.77
SCHEMBL23710756 0.76 ALOX15 (0.41) CA1KISS1RRNPEPSLC7A5FOLH1

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