SCHEMBL5515097

SCHEMBL5515097

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SLC37A4 O43826 1/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KAT8 Q9H7Z6 4/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
RARB P10826 3/20 0.36

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
SCHEMBL7644691 0.96 ALDH1A1 (0.45) ALDH1A1SLC37A4PPARAPPARGCA12
SCHEMBL10894132 0.94 ALDH1A1 (0.43) ALDH1A1SLC37A4PPARAPPARGCA12
SCHEMBL5525340 0.92 ALDH1A1 (0.44) ALDH1A1SLC37A4PPARAPPARGCA12
SCHEMBL1644469 0.90 ALDH1A1 (0.38) ALDH1A1SLC37A4PPARAPPARGCA12
SCHEMBL8603134 0.85 ACE2 (0.40) ALDH1A1PPARACA12CA9ACE2
SCHEMBL5515733 0.85 ALDH1A1 (0.45) ALDH1A1SLC37A4PPARAPPARGCA12
SCHEMBL5512217 0.85 ALDH1A1 (0.45) ALDH1A1SLC37A4PPARAPPARGCA12
SCHEMBL9743402 0.84 ACE2 (0.38) ALDH1A1SLC37A4CA12CA9ACE2
SCHEMBL5529328 0.83 PPARA (0.44) ALDH1A1PPARAPPARGKAT8BID
SCHEMBL29884355 0.83 PPARA (0.47) ALDH1A1PPARAPPARGKAT8BID

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