SCHEMBL8378312

SCHEMBL8378312

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccc(C(=O)O)cc1)NCCCCCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.38
MCHR1 Q99705 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8517694 0.94 CCR2 (0.41) CCR2MCHR1HDAC1HDAC3HDAC4
SCHEMBL8375752 0.89 POLB (0.39) MCHR1MAPK1POLBMEN1KMT2A
SCHEMBL8518008 0.87 MEN1 (0.34) CCR2MCHR1HDAC1HDAC3HDAC4
SCHEMBL8373964 0.86 MCHR1 (0.38) CCR2MCHR1ALDH1A1S1PR5
SCHEMBL8517601 0.85 CCR3 (0.39) MEN1KMT2A
SCHEMBL8522255 0.84 PLAAT3 (0.47) POLBLMNAHRH3ALDH1A1
SCHEMBL20971523 0.84 PLAAT3 (0.47) POLBLMNAHRH3ALDH1A1
SCHEMBL20971533 0.84 PLAAT3 (0.47) POLBLMNAHRH3ALDH1A1
SCHEMBL8438262 0.84 PLAAT3 (0.47) POLBLMNAHRH3ALDH1A1
SCHEMBL8442091 0.84 PLAAT3 (0.47) POLBLMNAHRH3ALDH1A1

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 2 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