SCHEMBL5524019

SCHEMBL5524019

CC(C)Cc1c(C2CCCCC2)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.36
PTGDR Q13258 1/20 0.36
TSHR P16473 1/20 0.36
CAMKK2 Q96RR4 8/20 0.36
KMO O15229 1/20 0.35
CAMKK1 Q8N5S9 4/20 0.34
MYC P01106 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
SCHEMBL5520149 0.85 ACMSD (0.40) ACMSDPTGDR2PTGDRCAMKK2KMO
SCHEMBL5518204 0.82 ACMSD (0.38) ACMSDPTGDR2CAMKK2KMOCAMKK1
SCHEMBL5513428 0.80 PPARA (0.39) ACMSDPTGDR2CAMKK2CAMKK1
SCHEMBL5512337 0.79 ACMSD (0.40) ACMSDPTGDR2PTGDRCAMKK2KMO
SCHEMBL5524022 0.78 ACMSD (0.38) ACMSDPTGDR2PTGDRTSHRKMO
SCHEMBL5517628 0.78 ACMSD (0.38) ACMSDPTGDR2PTGDRCAMKK2KMO
SCHEMBL14989258 0.78 ACMSD (0.46) ACMSDPTGDR2CAMKK2KMOCAMKK1
SCHEMBL6014068 0.77 PTGS1 (0.42) TSHR
SCHEMBL5517325 0.77 ACMSD (0.43) ACMSDPTGDR2CAMKK2KMOCAMKK1
SCHEMBL11409144 0.75 ACMSD (0.44) ACMSDPTGDR2CAMKK2KMOCAMKK1

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