SCHEMBL8094782

SCHEMBL8094782

CCCCS(=O)(=O)C1CC(=O)N1CC(=O)CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.39
HPGD P15428 2/20 0.38
FKBP1A P62942 2/20 0.38
HDAC3 O15379 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
APP P05067 1/20 0.36
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8440706 0.85 HMOX1 (0.40) HMOX1ALDH1A1HTTPOLBTDP1
SCHEMBL8104137 0.83 POLB (0.43) HMOX1ALDH1A1POLBAPPTDP1
SCHEMBL8439468 0.80 HTR2A (0.40) HMOX1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL8110081 0.79 HDAC3 (0.41) HDAC3LMNAPOLBTDP1
SCHEMBL8108430 0.79 HMOX1 (0.40) HMOX1HPGDHDAC3KDM4EALDH1A1
SCHEMBL8110094 0.77 MAPT (0.43) MAPT
SCHEMBL8104121 0.77 MAPT (0.43) MAPT
SCHEMBL8104145 0.77 HPGD (0.40) HMOX1HPGDHDAC3KDM4EALDH1A1
SCHEMBL8439597 0.75 HCRTR1 (0.43) ALDH1A1LMNAPOLBAPPTDP1
SCHEMBL8094772 0.75 HMOX1 (0.39) HMOX1HPGDHDAC3KDM4EALDH1A1

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
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
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