SCHEMBL8439717

SCHEMBL8439717

COc1ccc(SC2CC(=O)N2CC(=O)CCc2ccccc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
PDE4B Q07343 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8443492 0.86 NPC1 (0.47) KMT2ANPC1RAB9ATP53ALDH1A1
SCHEMBL8440312 0.86 RAB9A (0.44) ALOX5KMT2ANPC1RAB9ATP53
SCHEMBL8442927 0.84 ALOX5 (0.44) ALOX5HCRTR1HCRTR2LMNA
SCHEMBL8440076 0.84 PDE4B (0.42) TP53MAPK1PDE4BALDH1A1PDE4A
SCHEMBL8442860 0.83 HMOX1 (0.42) KMT2ANPC1RAB9APOLBALDH1A1
SCHEMBL8438346 0.83 HMOX1 (0.42) KMT2ANPC1RAB9APOLBALDH1A1
SCHEMBL8438341 0.83 HMOX1 (0.42) KMT2ANPC1RAB9APOLBALDH1A1
SCHEMBL8439366 0.82 LMNA (0.47) KMT2ANPC1RAB9ATP53POLB
SCHEMBL8441214 0.80 HCRTR1 (0.43) ALOX5KMT2AHCRTR1HCRTR2
SCHEMBL8094868 0.79 HMOX1 (0.42) ALOX5NPC1ALDH1A1L3MBTL1

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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US 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