SCHEMBL11201567

SCHEMBL11201567

CCOC(=O)COc1ccc(CC(N)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 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
SCHEMBL11196500 0.88 NPSR1 (0.51) NPSR1GAASMN1; SMN2TDP1L3MBTL1
SCHEMBL5551453 0.84 GAA (0.59) NPSR1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL1668484 0.84 GAA (0.62) NPSR1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL23599248 0.84 TDP1 (0.52) NPSR1SMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL23582833 0.84 LTA4H (0.54)
SCHEMBL5202817 0.83 GAA (0.66) NPSR1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL1107148 0.83 GAA (0.70) NPSR1GAASMN1; SMN2TDP1L3MBTL1
SCHEMBL700166 0.83 PARP10 (0.61) TDP1KDM4EALDH1A1
SCHEMBL25902342 0.83 GAA (0.57) NPSR1GAASMN1; SMN2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL11371198 0.83 GAA (0.60) NPSR1GAASMN1; SMN2KDM4EHSD17B10

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
US-4387099-A Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-06-07 US disclosed
US-4327113-A DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-27 US disclosed
US-4260632-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-07 US disclosed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 US disclosed
US-4141987-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 US disclosed