SCHEMBL4060906

SCHEMBL4060906

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.37
GPR84 Q9NQS5 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FFAR1 O14842 1/20 0.33
PLA2G10 O15496 2/20 0.33
NFKB1 P19838 1/20 0.32
CA1 P00915 2/20 0.32
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KISS1R Q969F8 2/20 0.32
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4065313 0.85 TDP1 (0.38) PSMB5GPR84FFAR4FFAR1PLA2G10
SCHEMBL4057493 0.81 PSMB5 (0.41) PSMB5CES2CES1FFAR3HDAC3
SCHEMBL109486 0.80 CA1 (0.50) CES2CES1NFKB1CA1FFAR3
SCHEMBL23710756 0.78 ALOX15 (0.41) CA1KISS1RRNPEPSLC7A5
SCHEMBL2404264 0.78 ALDH1A1 (0.46) FFAR4CES2CES1FFAR3HDAC3
SCHEMBL3901922 0.76 GABRP (0.50) FFAR4FFAR1PLA2G10RNPEP
SCHEMBL22339977 0.76 ALDH1A1 (0.45) FFAR4CES2CES1FFAR1FFAR3
SCHEMBL11890302 0.74
SCHEMBL11890314 0.74
SCHEMBL108477 0.74

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