SCHEMBL16503452

SCHEMBL16503452

CC(=O)OCOC[C@@H](O)[C@@H](CO)OCn1ccc(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUT P33316 12/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ENPP1 P22413 4/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL10196375 0.81 PKM (0.46) DUTPKMALDH1A1LMNAENPP1
SCHEMBL14391833 0.77 PKM (0.41) DUTPKMALDH1A1LMNAENPP1
SCHEMBL13057367 0.72 DUT (0.43) DUTPKMALDH1A1LMNAENPP1
SCHEMBL13671537 0.72 DUT (0.57) DUTPKMALDH1A1LMNAENPP1
SCHEMBL14391843 0.72 PKM (0.41) DUTPKMALDH1A1LMNAENPP1
SCHEMBL14391844 0.71 DUT (0.44) DUTPKMALDH1A1LMNAPOLB
SCHEMBL16576318 0.70 PKM (0.40) DUTPKMALDH1A1LMNAENPP1
SCHEMBL14391834 0.70 PKM (0.40) DUTPKMALDH1A1LMNAENPP1
SCHEMBL14391634 0.69 PKM (0.50) DUTPKMALDH1A1LMNAENPP1
SCHEMBL19171430 0.68 PKM (0.52) DUTPKMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303905-B1 CHEMICAL RNA SYNTHESIS METHOD CENTRE NAT RECH SCIENT (FR) 2012-11-28 EP disclosed