SCHEMBL8593281

SCHEMBL8593281

C=CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2CC(=O)NCCCCCCc2ccc(F)cc2)o1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.34
ASAH1 Q13510 6/20 0.33
NAMPT P43490 1/20 0.32
CASP6 P55212 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8809869 0.93 HRH3 (0.34) ASAH1CASP6ALDH1A1LMNAMEN1
SCHEMBL8595503 0.89 POLB (0.39) PLA2G7ASAH1NAMPTALDH1A1KDM4E
SCHEMBL27494322 0.89 LMNA (0.39) PLA2G7ASAH1NAMPTALDH1A1KDM4E
SCHEMBL8592460 0.87 ASAH1 (0.37) PLA2G7ASAH1NAMPTALDH1A1KDM4E
SCHEMBL8442258 0.86 TDP1 (0.34) PLA2G7ASAH1NAMPTALDH1A1KDM4E
SCHEMBL8552851 0.84 PLA2G7 (0.39) PLA2G7ASAH1NAMPTALDH1A1KDM4E
SCHEMBL8104153 0.83 EPHX2 (0.35) PLA2G7ASAH1NAMPTALDH1A1KDM4E
SCHEMBL8517608 0.81 LMNA (0.35) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8809251 0.81 MEN1 (0.39) PLA2G7ASAH1NAMPTALDH1A1KDM4E
SCHEMBL8443653 0.79 KMT2A (0.46) ASAH1ALDH1A1KDM4ETDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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