SCHEMBL8439418

SCHEMBL8439418

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
ITGB1 P05556 3/20 0.40
ITGA5 P08648 2/20 0.40
APEX1 P27695 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PDPK1 O15530 2/20 0.38
FFAR1 O14842 1/20 0.38
ITGA4 P13612 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A9 P48067 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL11460980 0.86 L3MBTL1 (0.49) ITGB1ITGA5L3MBTL1TSHRPOLB
SCHEMBL8441054 0.83 PDPK1 (0.49) PDPK1GRIN1GRIN2BKMT2ASLC6A9
SCHEMBL8442860 0.82 HMOX1 (0.42) ITGB1ITGA5FFAR1L3MBTL1POLB
SCHEMBL8438346 0.82 HMOX1 (0.42) ITGB1ITGA5FFAR1L3MBTL1POLB
SCHEMBL8438341 0.82 HMOX1 (0.42) ITGB1ITGA5FFAR1L3MBTL1POLB
SCHEMBL8442219 0.80 CYP2C19 (0.40) SIGMAR1ITGB1ITGA5L3MBTL1TSHR
SCHEMBL8374671 0.80 CYP2C19 (0.40) SIGMAR1ITGB1ITGA5L3MBTL1TSHR
SCHEMBL8438654 0.80 CYP2C19 (0.40) SIGMAR1ITGB1ITGA5L3MBTL1TSHR
SCHEMBL8443346 0.78 DDB1 (0.41) L3MBTL1POLBKMT2A
SCHEMBL8440076 0.77 PDE4B (0.42) CA12CA9L3MBTL1

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