SCHEMBL8104046

SCHEMBL8104046

O=C(CCc1ccccc1)CN1C(=O)CC1[S+]([O-])CCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.38
TSHR P16473 1/20 0.35
KEAP1 Q14145 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TERT O14746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL8443669 0.93 HMOX1 (0.40) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8442702 0.91 HMOX1 (0.38) HMOX1KEAP1TDP1NPC1TRPA1
SCHEMBL8772387 0.88 HMOX1 (0.40) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8094772 0.88 HMOX1 (0.39) HMOX1TSHRTDP1L3MBTL1HTT
SCHEMBL8110056 0.86 HPGD (0.41) HMOX1TSHRHTTALDH1A1
SCHEMBL8102560 0.84 HMOX1 (0.40) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8772382 0.83 HMOX1 (0.40) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8442244 0.83 HMOX1 (0.40) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8443497 0.83 HMOX1 (0.40) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8443496 0.83 HMOX1 (0.40) HMOX1KEAP1TDP1NPC1L3MBTL1

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 6 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
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