SCHEMBL4056280

SCHEMBL4056280

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.39
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
GPR84 Q9NQS5 5/20 0.34
PLA2G10 O15496 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33

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 0.88 TDP1 (0.38) FFAR4FFAR1TDP1RNPEPGPR84
SCHEMBL128911 0.81 TDP1 (0.43) NFKB1TDP1CHRNB2CHRNB4CHRNA4
SCHEMBL4062523 0.79 ALDH1A1 (0.38) NFKB1FFAR4FFAR1TDP1PLA2G10
SCHEMBL13983795 0.79 FFAR4 (0.52) FFAR4FFAR1PLA2G10
SCHEMBL1576890 0.79 TDP1 (0.41) NFKB1FFAR4FFAR1TDP1GPR84
SCHEMBL17930140 0.77 TDP1 (0.39) NFKB1FFAR4FFAR1TDP1GPR84
SCHEMBL23437889 0.76 NFKB1 (0.47) NFKB1FFAR4FFAR1TDP1GPR84
SCHEMBL4057035 0.74 TDP1 (0.41) TDP1RNPEP
SCHEMBL13509014 0.74 KDM4C (0.43) FFAR4FFAR1TDP1CA1
SCHEMBL4054468 0.73 FFAR4 (0.41) NFKB1FFAR4FFAR1TDP1GPR84

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