SCHEMBL8552228

SCHEMBL8552228

C=CCOC(=O)Cc1ccc(OC2CC(=O)N2CC(=O)NCCCCCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
KLK7 P49862 1/20 0.33

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
SCHEMBL8551594 0.86 LTA4H (0.42) HRH3LTA4HEPHX2KMT2ATP53
SCHEMBL8553916 0.84 ADAMTS5 (0.48) LTA4HEPHX2TP53MAPTADAMTS5
SCHEMBL8592027 0.80 MAPT (0.40) HRH3POLBKMT2AMEN1TP53
SCHEMBL8440371 0.77 PLA2G7 (0.40) POLBKMT2AMEN1TRPV1
SCHEMBL8552106 0.77 TRPV1 (0.50) EPHX2KMT2ATRPV1
SCHEMBL8442258 0.76 TDP1 (0.34) POLBKMT2AMEN1TRPV1
SCHEMBL27499495 0.75 LMNA (0.48) KMT2AMEN1TP53TRPV1
SCHEMBL8094854 0.73 PLA2G7 (0.39) KMT2AMEN1
SCHEMBL8554190 0.73 TRPV1 (0.43) POLBKMT2AMEN1TP53TRPV1
SCHEMBL8809869 0.72 HRH3 (0.34) HRH3POLBKMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP claimed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed