SCHEMBL5517628

SCHEMBL5517628

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.36
PTGDR Q13258 1/20 0.36
CAMKK2 Q96RR4 6/20 0.36
CAMKK1 Q8N5S9 4/20 0.35
KMO O15229 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5512337 0.87 ACMSD (0.40) ACMSDPTGDR2PTGDRCAMKK2CAMKK1
SCHEMBL5517633 0.80 ACMSD (0.37) ACMSDCAMKK2CAMKK1KMONPSR1
SCHEMBL5520149 0.79 ACMSD (0.40) ACMSDPTGDR2PTGDRCAMKK2CAMKK1
SCHEMBL5524019 0.78 ACMSD (0.38) ACMSDPTGDR2PTGDRCAMKK2CAMKK1
SCHEMBL14989258 0.78 ACMSD (0.46) ACMSDPTGDR2CAMKK2CAMKK1KMO
SCHEMBL5517325 0.77 ACMSD (0.43) ACMSDPTGDR2CAMKK2CAMKK1KMO
SCHEMBL5518204 0.77 ACMSD (0.38) ACMSDPTGDR2CAMKK2CAMKK1KMO
SCHEMBL11409144 0.75 ACMSD (0.44) ACMSDPTGDR2CAMKK2CAMKK1KMO
SCHEMBL167431 0.75 ACMSD (0.44) ACMSDPTGDR2CAMKK2CAMKK1KMO
SCHEMBL5513428 0.75 PPARA (0.39) ACMSDPTGDR2CAMKK2CAMKK1

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