SCHEMBL8832440

SCHEMBL8832440

CCOC(=O)c1cc2c(nc1C(=O)OCC)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.49
KDM4E B2RXH2 4/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 3/20 0.46
NPC1 O15118 3/20 0.46
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
ELANE P08246 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8832066 0.79 KDM4E (0.40) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL8832470 0.77 KDM4E (0.46) HSD17B10KDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL11695937 0.76 ALDH1A1 (0.54) HSD17B10KDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL8832961 0.76 KDM4E (0.51) HSD17B10KDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL5576483 0.75 ALDH1A1 (0.52) HSD17B10KDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL10404387 0.75 KDM4E (0.39) HSD17B10KDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL9084893 0.75 KDM4E (0.37) HSD17B10KDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL8832819 0.74 KDM4E (0.38) HSD17B10KDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL26409927 0.74 GLA (0.42) HSD17B10KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL20740108 0.74 L3MBTL1 (0.54) HSD17B10KDM4ETP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622913-A CONTROLLING PLANT GROWTH AMERICAN CYANAMID COMPANY (US) 1997-04-22 US disclosed
US-5599772-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5599773-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5571773-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-11-05 US disclosed
US-5565412-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-10-15 US disclosed
US-5565411-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-10-15 US disclosed
US-5563113-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-10-08 US disclosed
US-5554579-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-09-10 US disclosed
US-5536702-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-07-16 US disclosed
US-5536839-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5534483-A (2-imidazolin-2-yl) fused heteropyridine compounds intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534485-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534484-A (2-imidazolin-2-yl)fused heteropyridine compounds intermediates for the preparation of and use of said compounds and herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5532207-A CONTROL OF MONO- AND DI-COTYLEDONOUS ANNUAL, PERENNIAL AND AQUATIC PLANTS; PRE- AND POST-EMERGENCE USE AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed
US-5510319-A PYRROLO-2,3-B-PYRIDINYL DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed
US-5252538-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 US disclosed
EP-0227932-B1 NOVEL FUSED PYRIDINE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-01-13 EP disclosed
EP-0227932-A1 Novel fused pyridine compounds, intermediates for the preparation of, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-07-08 EP disclosed