SCHEMBL8517608

SCHEMBL8517608

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM1A O60341 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD1 P21728 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
KCNH2 Q12809 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
SCHEMBL8518008 0.93 MEN1 (0.34) LMNAKMT2AMEN1HDAC1HDAC6
SCHEMBL27494322 0.92 LMNA (0.39) LMNAMAPTALDH1A1HSP90AA1KMT2A
SCHEMBL8373704 0.90 MAPT (0.40) LMNAMAPTALDH1A1HSP90AA1KMT2A
SCHEMBL8517601 0.86 CCR3 (0.39) KMT2AMEN1HTR1ADRD3
SCHEMBL8377057 0.85 MEN1 (0.35) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL8374713 0.85 KMT2A (0.31) LMNAMAPTALDH1A1HSP90AA1KMT2A
SCHEMBL8442258 0.83 TDP1 (0.34) LMNAALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8375752 0.82 POLB (0.39) LMNAMAPTALDH1A1HSP90AA1KMT2A
SCHEMBL8439022 0.82 MAPT (0.42) LMNAMAPTALDH1A1HSP90AA1KMT2A
SCHEMBL8593281 0.81 PLA2G7 (0.34) LMNAALDH1A1KMT2AMEN1L3MBTL1

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