SCHEMBL3402649

SCHEMBL3402649

C=CCC(NC(C)=O)(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP8 P22894 1/20 0.30

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
SCHEMBL3485811 0.78 NAALAD2 (0.41) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL7421934 0.78 PKM (0.35) PKMALDH1A1KDM4ETHRBHTT
SCHEMBL7421930 0.78 PKM (0.35) PKMALDH1A1KDM4ETHRBHTT
SCHEMBL7427362 0.78 PKM (0.35) PKMALDH1A1KDM4ETHRBHTT
SCHEMBL3665720 0.73 PKM (0.45) PKMALDH1A1KDM4ETHRBHTT
SCHEMBL8500067 0.71 KDM4E (0.36) PKMKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL11248210 0.71 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL16571690 0.70 PKM (0.42) PKMALDH1A1KDM4ETHRBHTT
SCHEMBL7333555 0.69 PKM (0.35) PKMALDH1A1KDM4ETHRBHTT
SCHEMBL7304285 0.69 PKM (0.35) PKMALDH1A1KDM4ETHRBHTT

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-2174909-A1 Composition comprising a layered double hydroxide Akzo Nobel N.V. (NL) 2010-04-14 EP disclosed