SCHEMBL8104160

SCHEMBL8104160

CSC1CC(=O)N1CC(=O)CCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 6/20 0.41
AR P10275 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL8094797 0.95 MAPT (0.44) HDAC1HDAC2FAAHNAAA
SCHEMBL8108442 0.95 MAPT (0.44) HDAC1HDAC2FAAHNAAA
SCHEMBL8094868 0.92 HMOX1 (0.42) FAAHNPC1TDP1
SCHEMBL8438972 0.82 MAPT (0.43) HDAC1HDAC2FAAHNAAA
SCHEMBL8443320 0.81 ACE (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8110096 0.80 SIGMAR1 (0.48) FAAHTDP1MEN1KMT2AMGLL
SCHEMBL8102640 0.80 TRPV1 (0.51) LMNAMEN1KMT2AEPHX2
SCHEMBL8438346 0.80 HMOX1 (0.42) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL8439560 0.80 HMOX1 (0.42) NPC1TDP1
SCHEMBL8438341 0.80 HMOX1 (0.42) NPC1RAB9ATDP1MEN1KMT2A

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-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed