SCHEMBL7526468

SCHEMBL7526468

CNC(=O)O.CNC(=O)Oc1ccccc1C1OCCO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
PGR P06401 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCHE P06276 4/20 0.43
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KAT2B Q92831 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL119641 0.96 ACHE (0.49) ACHEALDH1A1GAAPGRPTGS1
SCHEMBL6733945 0.96 ACHE (0.49) ACHEALDH1A1GAAPGRPTGS1
SCHEMBL29435143 0.96 ACHE (0.49) ACHEALDH1A1GAAPGRPTGS1
SCHEMBL11451488 0.90 ACHE (0.47) ACHEALDH1A1GAAPGRPTGS1
SCHEMBL11701599 0.82 ACHE (0.39) ACHEALDH1A1GAAPGRPTGS1
SCHEMBL11627090 0.82 GAA (0.53) ALDH1A1GAALMNA
SCHEMBL11451394 0.82 ALDH1A1 (0.44) ACHEALDH1A1GAAPGRPTGS1
SCHEMBL11096418 0.79 L3MBTL1 (0.59) ACHEALDH1A1PTGS1MAPK1HSD17B10
SCHEMBL11450837 0.78 ACHE (0.46) ACHEALDH1A1GAAPGRPTGS1
SCHEMBL11509630 0.78 ACHE (0.49) ACHEBCHEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906014-B1 Shaped bodies which release agrochemicals BAYER AG (DE) 2002-03-27 EP disclosed
EP-0906014-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AG (DE) 1999-04-07 EP disclosed
EP-0861024-A1 POLYSACCHARIDE ETHER ESTERS WHICH RELEASE ACTIVE INGREDIENTS BAYER AG (DE) 1998-09-02 EP disclosed
WO-1997046094-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
WO-1997017847-A1 POLYSACCHARIDE ETHER ESTERS WHICH RELEASE ACTIVE INGREDIENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed