SCHEMBL8094772

SCHEMBL8094772

CCCC[S+]([O-])C1CC(=O)N1CC(=O)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HDAC3 O15379 1/20 0.37
APP P05067 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL8110056 0.96 HPGD (0.41) HMOX1HPGDALDH1A1LMNAMAPT
SCHEMBL8442702 0.92 HMOX1 (0.38) HMOX1LMNAMAPTHDAC3TDP1
SCHEMBL8443669 0.90 HMOX1 (0.40) HMOX1ALDH1A1MAPTHTTHSD17B10
SCHEMBL8104046 0.88 HMOX1 (0.38) HMOX1ALDH1A1HTTTSHRTDP1
SCHEMBL8772387 0.85 HMOX1 (0.40) HMOX1HPGDALDH1A1TDP1L3MBTL1
SCHEMBL8102560 0.84 HMOX1 (0.40) HMOX1HPGDALDH1A1APPTDP1
SCHEMBL8108448 0.81 HMOX1 (0.38) HMOX1ALDH1A1HTTAPPTDP1
SCHEMBL8443497 0.81 HMOX1 (0.40) HMOX1ALDH1A1HTTTDP1L3MBTL1
SCHEMBL8772382 0.81 HMOX1 (0.40) HMOX1ALDH1A1HTTTDP1L3MBTL1
SCHEMBL8442244 0.81 HMOX1 (0.40) HMOX1ALDH1A1HTTTDP1L3MBTL1

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