SCHEMBL8518068

SCHEMBL8518068

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
CCR2 P41597 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A4 P31645 1/20 0.37
DRD2 P14416 2/20 0.36
MCHR1 Q99705 2/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 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
SCHEMBL8517515 0.92 CCR3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8378326 0.89 PLG (0.35) MCHR1
SCHEMBL8378214 0.86 MCHR1 (0.33) CCR2DRD2MCHR1
SCHEMBL8378225 0.86 MEN1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8517073 0.82 MCHR1 (0.37) CCR2DRD2MCHR1
SCHEMBL8517694 0.82 CCR2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8518033 0.81 MAPT (0.38)
SCHEMBL8553163 0.79 SLC1A2 (0.55)
SCHEMBL8374713 0.79 KMT2A (0.31)
SCHEMBL8377618 0.78 S1PR5 (0.35) CCR2DRD2MCHR1

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