SCHEMBL8375752

SCHEMBL8375752

CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2CC(=O)NCCCCCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HSP90AA1 P07900 1/20 0.37
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCHR1 Q99705 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8373704 0.92 MAPT (0.40) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL8518008 0.90 MEN1 (0.34) POLBKMT2AMEN1LMNAMCHR1
SCHEMBL8378312 0.89 CCR2 (0.38) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL8517694 0.88 CCR2 (0.41) KMT2AMEN1LMNAMCHR1TSHR
SCHEMBL8772501 0.85 KMT2A (0.44) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL8377486 0.85 ALDH1A1 (0.37) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL8378326 0.85 PLG (0.35) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL8439022 0.84 MAPT (0.42) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL8517608 0.82 LMNA (0.35) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL8517601 0.80 CCR3 (0.39) KMT2AMEN1

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-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP claimed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO claimed
EP-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed