SCHEMBL5160643

SCHEMBL5160643

CC(C(=O)O)C(=O)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.59
LMNA P02545 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NAPRT Q6XQN6 1/20 0.57
P4HTM Q9NXG6 1/20 0.57
ALDH1A1 P00352 2/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 5/20 0.50
HTT P42858 2/20 0.50
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALPL P05186 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL27619765 0.86 GSK3B (0.56) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL29915632 0.82 GSK3B (0.66) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL888686 0.82 GSK3B (0.66) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL5163592 0.82 GSK3B (0.56) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL14549447 0.81 GSK3B (0.63) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL3320709 0.80 GSK3B (0.58) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL28749719 0.80 GSK3B (0.53) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL24808789 0.79 GSK3B (0.61) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL5312170 0.79 GSK3B (0.72) GSK3BLMNAL3MBTL1NAPRTP4HTM
SCHEMBL1595547 0.79 GSK3B (0.61) GSK3BLMNAL3MBTL1NAPRTP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed