SCHEMBL4054468

SCHEMBL4054468

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
PAOX Q6QHF9 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FAAH O00519 1/20 0.37
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 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
SCHEMBL4062523 0.94 ALDH1A1 (0.38) FFAR4FFAR1PAOXHDAC3HDAC4
SCHEMBL5742430 0.82 FFAR4 (0.63) FFAR4FFAR1NFKB1ALDH1A1KDM4C
SCHEMBL290187 0.80 PAOX (0.48) PAOXALDH1A1KDM4CKDM4APHF8
SCHEMBL15821253 0.79 PAOX (0.45) PAOXALDH1A1KDM4CKDM4APHF8
SCHEMBL9051529 0.79 PAOX (0.45) PAOXALDH1A1KDM4CKDM4APHF8
SCHEMBL15821251 0.79 PAOX (0.45) PAOXALDH1A1KDM4CKDM4APHF8
SCHEMBL11578520 0.78 PAOX (0.46) FFAR4FFAR1PAOXALDH1A1MAPT
SCHEMBL16431234 0.78 PAOX (0.52) PAOXALDH1A1KDM4CKDM4APHF8
SCHEMBL12526756 0.78 PAOX (0.52) PAOXALDH1A1KDM4CKDM4APHF8
SCHEMBL8896028 0.78 PAOX (0.52) PAOXALDH1A1KDM4CKDM4APHF8

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