SCHEMBL11200044

SCHEMBL11200044

CCOC(=O)COc1ccc(CNC(C)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 1/20 0.53
PPID Q08752 2/20 0.51
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPIB P23284 1/20 0.48
PPIA P62937 1/20 0.48
PPIG Q13427 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
SCHEMBL9259281 0.86 ACACB (0.65) GAANPSR1KMT2ASMN1; SMN2
SCHEMBL11375704 0.83 ALDH1A1 (0.56) GAANPSR1KMT2ASMN1; SMN2
SCHEMBL13967477 0.82 EPHX2 (0.60) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL5202817 0.81 GAA (0.66) GAANPSR1TSHRMAPTPOLB
SCHEMBL1668770 0.80 EPHX2 (0.57) GAANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL8321862 0.80 GAA (0.64) GAANPSR1TSHRMAPTPOLB
SCHEMBL10867147 0.79 GAA (0.68) GAANPSR1TSHRMAPTPOLB
SCHEMBL11815554 0.79 GAA (0.72) GAANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL829971 0.79 KMT2A (0.71) GAANPSR1KMT2AMEN1MAPT
SCHEMBL5551453 0.79 GAA (0.59) GAANPSR1KMT2AMEN1TSHR

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 6 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-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 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