SCHEMBL5512337

SCHEMBL5512337

CC(C)c1c(C2CCCCC2)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.39
PTGDR Q13258 1/20 0.39
KMO O15229 1/20 0.38
CAMKK2 Q96RR4 10/20 0.38
CAMKK1 Q8N5S9 6/20 0.36
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5517628 0.87 ACMSD (0.38) ACMSDPTGDR2PTGDRKMOCAMKK2
SCHEMBL14989258 0.81 ACMSD (0.46) ACMSDPTGDR2KMOCAMKK2CAMKK1
SCHEMBL5517325 0.80 ACMSD (0.43) ACMSDPTGDR2KMOCAMKK2CAMKK1
SCHEMBL5524019 0.79 ACMSD (0.38) ACMSDPTGDR2PTGDRKMOCAMKK2
SCHEMBL6384930 0.78 ACMSD (0.44) ACMSDPTGDR2KMOCAMKK2CAMKK1
SCHEMBL11409144 0.78 ACMSD (0.44) ACMSDPTGDR2KMOCAMKK2CAMKK1
SCHEMBL167431 0.78 ACMSD (0.44) ACMSDPTGDR2KMOCAMKK2CAMKK1
SCHEMBL27451543 0.77 ACMSD (0.43) ACMSDPTGDR2KMOCAMKK2CAMKK1
SCHEMBL5512339 0.77 ACMSD (0.40) ACMSDPTGDR2PTGDRKMOCAMKK2
SCHEMBL5520149 0.77 ACMSD (0.40) ACMSDPTGDR2PTGDRKMOCAMKK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
US-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 US disclosed