SCHEMBL8108430

SCHEMBL8108430

CCCCSC1CC(=O)N1CC(=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.40
APP P05067 1/20 0.39
HPGD P15428 2/20 0.39
HDAC3 O15379 1/20 0.38
POLB P06746 1/20 0.38
ACE P12821 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL8104145 0.96 HPGD (0.40) HMOX1APPHPGDHDAC3POLB
SCHEMBL8443320 0.92 ACE (0.42) HMOX1APPHDAC3POLBACE
SCHEMBL8439560 0.91 HMOX1 (0.42) HMOX1APPPOLBACEALDH1A1
SCHEMBL8104130 0.87 POLB (0.41) HMOX1APPPOLBALDH1A1TDP1
SCHEMBL8441249 0.84 HMOX1 (0.41) HMOX1APPPOLBACEALDH1A1
SCHEMBL8094868 0.83 HMOX1 (0.42) HMOX1APPALDH1A1TDP1L3MBTL1
SCHEMBL8102631 0.81 APP (0.41) HMOX1APPALDH1A1FAAH
SCHEMBL8438346 0.81 HMOX1 (0.42) HMOX1POLBALDH1A1TDP1L3MBTL1
SCHEMBL8438341 0.81 HMOX1 (0.42) HMOX1POLBALDH1A1TDP1L3MBTL1
SCHEMBL8442860 0.81 HMOX1 (0.42) HMOX1POLBALDH1A1TDP1L3MBTL1

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 5 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
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed