SCHEMBL8440076

SCHEMBL8440076

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.42
PDE4A P27815 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
TPMT P51580 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TP53 P04637 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
SCHEMBL8439717 0.84 ALOX5 (0.45) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL8441054 0.83 PDPK1 (0.49) ALDH1A1
SCHEMBL11460980 0.79 L3MBTL1 (0.49) ALDH1A1L3MBTL1
SCHEMBL8443346 0.79 DDB1 (0.41) ALDH1A1L3MBTL1TP53
SCHEMBL8439366 0.78 LMNA (0.47) ALDH1A1TP53
SCHEMBL8443511 0.78 PDE4A (0.39) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8439418 0.77 SIGMAR1 (0.40) L3MBTL1CA9CA12
SCHEMBL8443663 0.70 ALDH1A1 (0.46) ALDH1A1L3MBTL1
SCHEMBL8094793 0.70 L3MBTL1 (0.37) ALDH1A1L3MBTL1TP53
SCHEMBL342810 0.69 ALDH1A1 (0.53) ALDH1A1CA1CA2CA9CA12

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 3 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 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