SCHEMBL4064329

SCHEMBL4064329

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC2 Q92769 3/20 0.36
KISS1R Q969F8 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRIK1 P39086 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4061361 0.82 FPR2 (0.36) ALDH1A1TDP1KISS1RLMNA
SCHEMBL1786690 0.81 ALDH1A1 (0.48) ALDH1A1TDP1KISS1RGRIK1
SCHEMBL1786691 0.81 ALDH1A1 (0.48) ALDH1A1TDP1KISS1RGRIK1
SCHEMBL10290386 0.79 HDAC2 (0.41) HDAC2KISS1RHDAC3HDAC1HDAC8
SCHEMBL28216590 0.78 ALDH1A1 (0.39) ALDH1A1TDP1HDAC2HDAC3HDAC1
SCHEMBL19522459 0.77 HDAC2 (0.40) ALDH1A1HDAC2KISS1RHDAC3HDAC1
SCHEMBL19037567 0.77 HDAC2 (0.37) ALDH1A1TDP1HDAC2HDAC3HDAC1
SCHEMBL10315050 0.75 HDAC2 (0.44) ALDH1A1TDP1HDAC2HDAC3HDAC1
SCHEMBL4057581 0.75 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL7407116 0.73 FPR2 (0.50) ALDH1A1

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