SCHEMBL8377486

SCHEMBL8377486

CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2CCOCCCCCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TP53 P04637 1/20 0.37
BCHE P06276 2/20 0.36
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8375936 0.92 KMT2A (0.39) ALDH1A1MAPTKMT2ATSHRHSP90AA1
SCHEMBL8373739 0.90 BCHE (0.35) BCHEHRH1MCHR1CHRNB2CHRNA5
SCHEMBL8377619 0.89 DRD2 (0.36) HRH1MCHR1DRD2DRD4DRD3
SCHEMBL8377485 0.86 ALDH1A1 (0.36) ALDH1A1MAPTHPGDHTTKMT2A
SCHEMBL8374698 0.85 ALDH1A1 (0.36) ALDH1A1MAPTHPGDHTTKMT2A
SCHEMBL8375752 0.85 POLB (0.39) ALDH1A1MAPTHPGDHTTKMT2A
SCHEMBL8554624 0.83 MAPT (0.39) ALDH1A1MAPTHPGDHTTKMT2A
SCHEMBL8377057 0.82 MEN1 (0.35) KMT2ABCHEMEN1DRD2DRD3
SCHEMBL8373964 0.81 MCHR1 (0.38) ALDH1A1HRH1MCHR1DRD2DRD4
SCHEMBL8378712 0.80 DRD3 (0.39) KMT2AMEN1DRD2DRD4DRD3

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