SCHEMBL5162022

SCHEMBL5162022

CCC(C(=O)O)C(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
APP P05067 1/20 0.55
GAA P10253 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
PLOD2 O00469 1/20 0.51
HTT P42858 1/20 0.50
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
SIRT4 Q9Y6E7 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL28725932 0.84 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL23926879 0.84 L3MBTL1 (0.54) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL27873223 0.84 ALDH1A1 (0.49) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL27598319 0.83 L3MBTL1 (0.49) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL12158713 0.83 ALDH1A1 (0.53) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL13845395 0.81 ALDH1A1 (0.52) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL5160451 0.81 L3MBTL1 (0.47) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL6900351 0.81 ALDH1A1 (0.51) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL6511843 0.81 MDM2 (0.62) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL9164487 0.80 PLOD2 (0.49) ALDH1A1APPGAAHCAR3HCAR2

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 10 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
US-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 US 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-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 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
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed