SCHEMBL9632476

SCHEMBL9632476

CCCOc1ccc(CC(C)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CYP1A2 P05177 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP2D6 P10635 1/20 0.58
PDE4A P27815 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
POLB P06746 1/20 0.56
PLK1 P53350 1/20 0.53
ALDH1A1 P00352 3/20 0.53
ACACB O00763 1/20 0.52
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
PLA2G4B P0C869 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
Bromide SCHEMBL31603901 0.98 LMNA (0.58) LMNAL3MBTL1CYP1A2KDM4ECYP2D6
SCHEMBL22066521 0.95 LMNA (0.55) LMNAL3MBTL1CYP1A2KDM4ECYP2D6
SCHEMBL8347541 0.93 KDM4E (0.68) LMNACYP1A2KDM4ECYP2D6PDE4A
SCHEMBL1443020 0.85 LMNA (0.70) LMNAL3MBTL1CYP1A2KDM4ECYP2D6
SCHEMBL7153441 0.85 POLB (0.56) LMNAL3MBTL1CYP1A2KDM4ECYP2D6
SCHEMBL2628188 0.85 POLB (0.59) LMNAL3MBTL1CYP1A2KDM4ESMN1; SMN2
SCHEMBL7150227 0.84 ACACB (0.53) LMNAL3MBTL1CYP1A2KDM4ECYP2D6
SCHEMBL21483718 0.84 POLB (0.54) LMNAL3MBTL1CYP1A2KDM4ECYP2D6
SCHEMBL2628192 0.84 ALDH1A1 (0.58) LMNAL3MBTL1CYP1A2KDM4ECYP2D6
SCHEMBL22773365 0.84 POLB (0.54) LMNAL3MBTL1CYP1A2KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed