SCHEMBL4052430

SCHEMBL4052430

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ASAH2 Q9NR71 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
LTB4R Q15722 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
SCHEMBL3247478 0.81 CES2 (0.41) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL3247486 0.81 CES2 (0.41) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL4055865 0.77 LMNA (0.30)
SCHEMBL20495923 0.70 GAPDH (0.44)
SCHEMBL20495922 0.70 GAPDH (0.44)
SCHEMBL11716989 0.70
SCHEMBL4054342 0.69 PPARG (0.38) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL27723087 0.69
SCHEMBL4064329 0.68 ALDH1A1 (0.46) HDAC3HDAC1HDAC2HDAC8CYP3A4
SCHEMBL7407116 0.67 FPR2 (0.50) LTB4R

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