SCHEMBL5512339

SCHEMBL5512339

CC(C)c1ccc(C(=O)O)c(C(=O)O)c1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.40
ACE2 Q9BYF1 1/20 0.39
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
KMO O15229 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
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
PTGDR2 Q9Y5Y4 2/20 0.33
PTGDR Q13258 1/20 0.33
CXCR5 P32302 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
ABCC1 P33527 2/20 0.32

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
SCHEMBL5517633 0.86 ACMSD (0.37) ACMSDACE2KMOKDM4EGLA
SCHEMBL14989243 0.86 ACMSD (0.47) ACMSDKMOKDM4EGLAHTT
SCHEMBL5517327 0.80 ACMSD (0.43) ACMSDKMOALDH1A1KDM4EGLA
SCHEMBL5524022 0.79 ACMSD (0.38) ACMSDKMOALDH1A1LMNAKDM4E
SCHEMBL11409144 0.78 ACMSD (0.44) ACMSDKMOKDM4EGLAHTT
SCHEMBL167431 0.78 ACMSD (0.44) ACMSDKMOKDM4EGLAHTT
SCHEMBL5520152 0.78 ACMSD (0.41) ACMSDKMOALDH1A1KDM4EGLA
SCHEMBL28145476 0.77 ACMSD (0.43) ACMSDKMOKDM4EGLAHTT
SCHEMBL5512337 0.77 ACMSD (0.40) ACMSDKMOKDM4EGLAHTT
SCHEMBL3413923 0.76 ACMSD (0.42) ACMSDKMOCAMKK2

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