SCHEMBL5316032

SCHEMBL5316032

CCCCCC(CC)c1c(C(=O)O)cc(O)c(O)c1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 1/20 0.41
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC37A4 O43826 1/20 0.36
ESR1 P03372 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
FFAR1 O14842 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 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
SCHEMBL8531738 0.82 KAT8 (0.44) KAT8PPARABCL2MCL1ALDH1A1
SCHEMBL7262394 0.81 KAT8 (0.43) KAT8PPARABCL2MCL1ALDH1A1
SCHEMBL27963993 0.78 KDM4E (0.45) KAT8PPARAALDH1A1
SCHEMBL18791468 0.77 SELL (0.41) BCL2MCL1ALDH1A1
SCHEMBL10936470 0.77 ALDH1A1 (0.50) ALDH1A1SLC37A4
SCHEMBL15641290 0.75 PPARA (0.54) KAT8PPARAALDH1A1
SCHEMBL12474718 0.75 KDM4E (0.42) KAT8PPARAALDH1A1FFAR1
SCHEMBL10606843 0.75 KAT8 (0.41) KAT8PPARAMCL1ALDH1A1SLC37A4
SCHEMBL8079680 0.75 ESR1 (0.54) ALDH1A1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL3837935 0.75 SLC37A4 (0.42) KAT8PPARAMCL1ALDH1A1SLC37A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1704190-B1 LOW VOC WEB OFFSET HEATSET INKS SUN CHEMICAL CORP (US) 2007-09-26 EP claimed
EP-1704190-A1 LOW VOC WEB OFFSET HEATSET INKS Sun Chemical Corporation (US) 2006-09-27 EP claimed
US-7018453-B2 Low VOC web offset heatset inks SUN CHEMICAL CORPORATION (US) 2006-03-28 US claimed
WO-2005066292-A1 LOW VOC WEB OFFSET HEATSET INKS SUN CHEMICAL CORPORATION (US) 2005-07-21 WO claimed
US-20050143489-A1 LOW VOC WEB OFFSET HEATSET INKS SUN CHEMICAL CORPORATION 2005-06-30 US claimed
EP-1704190-B1 LOW VOC WEB OFFSET HEATSET INKS SUN CHEMICAL CORP (US) 2007-09-26 EP disclosed
EP-1704190-A1 LOW VOC WEB OFFSET HEATSET INKS Sun Chemical Corporation (US) 2006-09-27 EP disclosed
WO-2005066292-A1 LOW VOC WEB OFFSET HEATSET INKS SUN CHEMICAL CORPORATION (US) 2005-07-21 WO disclosed