SCHEMBL8517515

SCHEMBL8517515

CC(C(=O)NCCCCCC(=O)c1ccc(F)cc1)N1C(=O)CC1[S+]([O-])Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
DRD2 P14416 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD4 P21917 4/20 0.36
HTR1A P08908 3/20 0.36
HTR2A P28223 3/20 0.36
DRD3 P35462 2/20 0.36
HRH1 P35367 2/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL8378225 0.94 MEN1 (0.35) CCR3HDAC3HDAC4HDAC1HDAC7
SCHEMBL8518068 0.92 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8518033 0.89 MAPT (0.38) L3MBTL1MEN1KMT2A
SCHEMBL8374713 0.86 KMT2A (0.31) HTR1ADRD3CXCR3MEN1CHRM2
SCHEMBL8518266 0.84 DRD2 (0.41) DRD2L3MBTL1DRD4HTR1AHTR2A
SCHEMBL8591797 0.82 DRD2 (0.38) DRD2L3MBTL1DRD4HTR1AHTR2A
SCHEMBL8517601 0.82 CCR3 (0.39) CCR3DRD2DRD4HTR1AHTR2A
SCHEMBL8378326 0.81 PLG (0.35) L3MBTL1MEN1KMT2A
SCHEMBL8812748 0.79 KMT2A (0.40) CCR3HDAC3HDAC4HDAC1HDAC7
SCHEMBL8553163 0.79 SLC1A2 (0.55) MEN1KMT2A

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