SCHEMBL10776993

SCHEMBL10776993

O=C1NC(=O)c2c(OCCO)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.43
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PDE5A O76074 1/20 0.41
▸ KCNA3 P22001 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ CASP3 P42574 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ GSK3A P49840 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 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
SCHEMBL11064554 0.84 KCNA3 (0.40) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7648225 0.84 CYP2A6 (0.43) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL9596671 0.83 KCNA3 (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10895518 0.82 GAA (0.39) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10973719 0.81 KDM4E (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL17154500 0.80 HTR7 (0.51) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4593117 0.80 PRKCA (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL17154508 0.80 KCNA3 (0.40) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7399139 0.80 DDB1 (0.46) CDK2KDM4EALDH1A1GAAHPGD
SCHEMBL2701829 0.80 GSK3B (0.42) KDM4EALDH1A1GAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244786-A1 Process for preparing 0-substituted hydroxylamines BASF Aktiengesellschaft (DE) 1987-11-11 — — EP disclosed
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