SCHEMBL8302756

SCHEMBL8302756

CCOC(=O)c1ccc(CSC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAOA P21397 1/20 0.59
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA12 O43570 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 4/20 0.50
RECQL P46063 1/20 0.50
NOS3 P29474 2/20 0.49

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
SCHEMBL9844686 0.95 CYP1A2 (0.54) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL5117726 0.84 LMNA (0.56) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL4209249 0.83 CA2 (0.51) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL1139401 0.83 LOXL2 (0.58) LMNACA1CA2CA12CA7
SCHEMBL27729402 0.83 CA1 (0.59) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL22946660 0.82 TSHR (0.42) LMNACYP1A2CYP3A4MAOAESR1
SCHEMBL8301034 0.81 SNCA (0.49) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL5117533 0.81 LMNA (0.53) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL27499196 0.81 LMNA (0.61) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL23051851 0.81 CA2 (0.53) LMNACYP1A2CYP3A4MAOACA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
EP-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0869943-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-10-14 EP disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
WO-1997021675-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed