SCHEMBL10196375

SCHEMBL10196375

O=c1ccn(CO[C@H](CO)C(O)CO)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
DUT P33316 11/20 0.42
ENPP1 P22413 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13057367 0.81 DUT (0.43) PKMALDH1A1LMNADUTENPP1
SCHEMBL16503452 0.81 DUT (0.39) PKMALDH1A1LMNADUTENPP1
SCHEMBL16576318 0.79 PKM (0.40) PKMALDH1A1LMNADUTENPP1
SCHEMBL14391833 0.77 PKM (0.41) PKMALDH1A1LMNADUTENPP1
SCHEMBL19171430 0.77 PKM (0.52) PKMALDH1A1LMNADUTL3MBTL1
SCHEMBL20599908 0.74 PKM (0.57) PKMALDH1A1LMNADUTENPP1
SCHEMBL14544299 0.74 GRIA1 (0.48)
SCHEMBL14391634 0.74 PKM (0.50) PKMALDH1A1LMNADUTENPP1
SCHEMBL11954659 0.74 GRIA1 (0.48)
SCHEMBL12748529 0.74 TYMP (0.51)

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
WO-2012125900-A1 2'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2012-09-20 WO disclosed