SCHEMBL5523058

SCHEMBL5523058

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PPARA Q07869 4/20 0.37
KAT8 Q9H7Z6 4/20 0.37
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
PPARG P37231 2/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
SLC37A4 O43826 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
RARB P10826 3/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
DHODH Q02127 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
SCHEMBL5512217 0.91 ALDH1A1 (0.45) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL5531011 0.88 ALDH1A1 (0.43) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL5529328 0.88 PPARA (0.44) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL29884355 0.88 PPARA (0.47) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL5515733 0.83 ALDH1A1 (0.45) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL7644691 0.83 ALDH1A1 (0.45) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL5515097 0.82 ALDH1A1 (0.44) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL5525340 0.82 ALDH1A1 (0.44) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL10894132 0.81 ALDH1A1 (0.43) ALDH1A1PPARAKAT8BIDMCL1
SCHEMBL6444652 0.80 ALDH1A1 (0.52) ALDH1A1PPARAKAT8PPARGCA12

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