SCHEMBL8438346

SCHEMBL8438346

O=C(CCc1ccccc1)CN1C(=O)CC1Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.42
KEAP1 Q14145 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FFAR1 O14842 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37

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
SCHEMBL8438341 1.00 HMOX1 (0.42) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8442860 1.00 HMOX1 (0.42) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8443492 0.89 NPC1 (0.47) TDP1NPC1L3MBTL1MEN1RAB9A
SCHEMBL8439560 0.87 HMOX1 (0.42) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8094868 0.87 HMOX1 (0.42) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8440312 0.86 RAB9A (0.44) NPC1POLBMEN1RAB9AKMT2A
SCHEMBL8441249 0.86 HMOX1 (0.41) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8443320 0.84 ACE (0.42) HMOX1KEAP1TDP1NPC1TRPA1
SCHEMBL8104113 0.84 HMOX1 (0.40) HMOX1KEAP1TDP1NPC1L3MBTL1
SCHEMBL8104130 0.84 POLB (0.41) 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-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed