SCHEMBL11113311

SCHEMBL11113311

CC(C)(N)CNC(=O)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
KMT2A Q03164 3/20 0.58
ALPL P05186 2/20 0.55
ALPI P09923 2/20 0.55
ALPG P10696 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL11489196 0.94 POLB (0.56) HPGDKMT2AALPLALPIALPG
SCHEMBL12224103 0.87 HPGD (0.62) HPGDKMT2AALPLALPIALPG
SCHEMBL27450929 0.79 CSNK1D (0.46) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7748285 0.79 HPGD (0.63) HPGDKMT2AALPLALPIALPG
SCHEMBL1433698 0.78 RAB9A (0.81) HPGDKMT2AALPLALPIALPG
SCHEMBL11162047 0.78 KMT2A (0.61) HPGDKMT2AALPLALPIALPG
SCHEMBL8695093 0.77 MAPT (0.82) HPGDKMT2AALPLALPIALPG
SCHEMBL27363616 0.76 KMT2A (0.55) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11775788 0.76 KMT2A (0.69) HPGDKMT2AALPLALPIALPG
SCHEMBL7890148 0.76 NPC1 (0.63) HPGDKMT2AALPLALPIALPG

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-4470997-A Esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-09-11 US disclosed
US-4423070-A DI- AND TRIESTERS OF N-(ACYLAMINOALKYL)-DIHYDROXYPHENYLETHANOLAMINES, ANTIINFLAMMATORY IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-12-27 US disclosed
US-4355045-A Anti-inflammatory 1-phenylethanolamine derivatives pharmaceutical compositions thereof and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-10-19 US disclosed
EP-0000809-B1 ANTI-INFLAMMATORY 1-PHENYLETHANOLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-04-14 EP disclosed
EP-0000809-A1 Anti-inflammatory 1-phenylethanolamine derivatives, pharmaceutical compositions thereof and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-02-21 EP disclosed