SCHEMBL4060468

SCHEMBL4060468

CCCCC(=O)CC(O)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAPT P10636 2/20 0.38
GPR84 Q9NQS5 4/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4057493 0.88 PSMB5 (0.41) PSMB5TRPV1CES2CES1MAPT
SCHEMBL5582408 0.81 CES2 (0.44) TRPV1CES2CES1MAPTGPR84
SCHEMBL108545 0.81 CES1 (0.48) CES2CES1MAPTALDH1A1TP53
SCHEMBL14533069 0.79 GPR84 (0.53) TRPV1CES2CES1GPR84FFAR4
SCHEMBL10765419 0.79 GPR84 (0.53) TRPV1CES2CES1GPR84FFAR4
SCHEMBL4057035 0.79 TDP1 (0.41) PSMB5ALDH1A1
SCHEMBL21596744 0.79 CES1 (0.46) CES2CES1MAPTALDH1A1TP53
SCHEMBL9699354 0.77 KMT2A (0.45) CES2CES1MAPTALDH1A1TP53
SCHEMBL8594270 0.76 CES1 (0.48) CES2CES1MAPTGPR84ALDH1A1
SCHEMBL2049922 0.76 CES1 (0.48) CES2CES1MAPTALDH1A1TP53

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