SCHEMBL5065618

SCHEMBL5065618

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 4/20 0.43
CYP3A4 P08684 2/20 0.43
NFKB1 P19838 2/20 0.43

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
SCHEMBL5067753 0.88 CA2 (0.46) TSHRGRIK1GRIK2CPA1SLC1A3
SCHEMBL10457723 0.86 CA2 (0.44) TSHRGRIK1GRIK2SLC1A2SLC1A1
SCHEMBL5363929 0.84 CHRM1 (0.46) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL7990541 0.84 GRIK1 (0.45) TSHRGRIK1GRIK2CPA1ALDH1A1
SCHEMBL14471116 0.83 HDAC7 (0.45) HDAC7HDAC8HDAC6HDAC9HDAC5
4-En-Metabolite SCHEMBL1000796 0.83 CHRM1 (0.62) HDAC7HDAC8HDAC6HDAC9HDAC5
4-En-Metabolite SCHEMBL9111371 0.83 CHRM1 (0.62) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL1728215 0.82
SCHEMBL17343614 0.81 CA1 (0.45) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL22306014 0.81 CA1 (0.45) HDAC7HDAC8HDAC6HDAC9HDAC5

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
US-20080312112-A1 Lubricating formulations for dispersancy and temperature, friction, and wear reduction LYON DEVELOPMENT CORPORATION 2008-12-18 US disclosed