SCHEMBL8545598

SCHEMBL8545598

O=C(O)c1cc(C2OCCCCO2)cnc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCAR3 P49019 1/20 0.33
ACMSD Q8TDX5 2/20 0.33
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8544867 0.97 KDM4E (0.38) KDM4EL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL8544532 0.94 KDM4E (0.40) KDM4EL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL8542228 0.82
SCHEMBL20489642 0.81 ALDH1A1 (0.35) KDM4EL3MBTL1ALDH1A1HCAR3SMN1; SMN2
SCHEMBL9724759 0.80 SMN1; SMN2 (0.35) KDM4EL3MBTL1ALDH1A1ALOX15NPSR1
SCHEMBL8546459 0.77 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10586417 0.75 KDM4E (0.54) KDM4EL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL8542643 0.74 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HTTHSD17B10
SCHEMBL8549567 0.72 KDM4E (0.40) KDM4EL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL8541963 0.71 SMN1; SMN2 (0.37) KDM4ETSHRALDH1A1NPSR1SMN1; SMN2

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-0434965-B1 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID CO (US) 1998-05-20 EP claimed
EP-0434965-B1 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID CO (US) 1998-05-20 EP disclosed
US-5405827-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-04-11 US disclosed
US-5344935-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1994-09-06 US disclosed
US-5283230-A Pre- and post-emergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed
US-5239070-A Herbicide intermediates AMERICAN CYANAMID COMPANY (US) 1993-08-24 US disclosed
US-5225564-A Acetalization, amination or sulfiding in a solvent AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5039333-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY 1991-08-13 US disclosed
EP-0434965-A2 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed
US-5026859-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1991-06-25 US disclosed