SCHEMBL8809869

SCHEMBL8809869

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 3/20 0.32
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
CASP6 P55212 1/20 0.31
ASAH1 Q13510 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR4 P51679 2/20 0.31

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
SCHEMBL8593281 0.93 PLA2G7 (0.34) MEN1KMT2ALMNACASP6ASAH1
SCHEMBL8595503 0.82 POLB (0.39) POLBLMNAASAH1ALDH1A1
SCHEMBL8518008 0.81 MEN1 (0.34) POLBMEN1KMT2ALMNA
SCHEMBL27494322 0.81 LMNA (0.39) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL8591251 0.81 HRH3 (0.39) HRH3TP53MAPTPOLBMEN1
SCHEMBL20971523 0.79 PLAAT3 (0.47) HRH3TP53MAPTPOLBLMNA
SCHEMBL20971533 0.79 PLAAT3 (0.47) HRH3TP53MAPTPOLBLMNA
SCHEMBL8522255 0.79 PLAAT3 (0.47) HRH3TP53MAPTPOLBLMNA
SCHEMBL8438262 0.79 PLAAT3 (0.47) HRH3TP53MAPTPOLBLMNA
SCHEMBL8442091 0.79 PLAAT3 (0.47) HRH3TP53MAPTPOLBLMNA

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 1 patent. 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 disclosed