SCHEMBL11201574

SCHEMBL11201574

CCOC(=O)C(C)Oc1ccc(C(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.62
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.50
PARP4 Q9UKK3 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP16 Q8N5Y8 1/20 0.47
PARP11 Q9NR21 1/20 0.47
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 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
SCHEMBL5789029 0.85 LMNA (0.58) LMNAL3MBTL1KMT2APOLBEPHX2
SCHEMBL1963387 0.85 LMNA (0.62) LMNAL3MBTL1KMT2ACA1CA2
SCHEMBL2339923 0.85 LMNA (0.62) LMNAL3MBTL1KMT2ACA1CA2
SCHEMBL5789027 0.85 LMNA (0.58) LMNAL3MBTL1KMT2APOLBEPHX2
SCHEMBL658139 0.83 LMNA (0.60) LMNAL3MBTL1KMT2APOLBEPHX2
Hydrochloric Acid SCHEMBL11664262 0.83 LMNA (0.53) PARP10LMNAL3MBTL1KMT2AEPHX2
SCHEMBL18562096 0.83 LMNA (0.63) LMNAL3MBTL1KMT2APOLBEPHX2
SCHEMBL11548487 0.83 L3MBTL1 (0.63) LMNAL3MBTL1KMT2APOLBEPHX2
SCHEMBL9857703 0.83 LMNA (0.63) LMNAL3MBTL1KMT2APOLBEPHX2
SCHEMBL5205374 0.83 LMNA (0.63) LMNAL3MBTL1KMT2APOLBEPHX2

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