SCHEMBL8517694

SCHEMBL8517694

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCCCCCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 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
USP2 O75604 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
SCHEMBL8378312 0.94 CCR2 (0.38) CCR2MEN1KMT2AHDAC3HDAC1
SCHEMBL8517601 0.91 CCR3 (0.39) MEN1KMT2ADRD2
SCHEMBL8439673 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL8522255 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL27479451 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL8438262 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL8442091 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL20971533 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL20971523 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL8438266 0.88 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA

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