SCHEMBL8300761

SCHEMBL8300761

C=CCOC(=O)c1ccc(CSC2CC(=O)N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
CYP3A4 P08684 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
Allyl Alcohol SCHEMBL8437400 0.96 SNCA (0.40) SNCACYP3A4CA1CA2KMT2A
SCHEMBL8441196 0.85 NPSR1 (0.35) CYP3A4CA1CA2KMT2AMEN1
SCHEMBL8301620 0.84 CA12 (0.45) CYP3A4CA1CA2KMT2AMEN1
SCHEMBL8552357 0.82 ALDH1A1 (0.36) CYP3A4CA1CA2KMT2AMEN1
SCHEMBL27511864 0.81 SNCA (0.41) SNCACYP3A4CA1CA2KMT2A
SCHEMBL8555621 0.78 SNCA (0.39) SNCACYP3A4CA1CA2KMT2A
SCHEMBL8305094 0.78 SNCA (0.43) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL8437403 0.77 SNCA (0.39) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL8591289 0.76 SNCA (0.45) SNCACYP3A4CA1CA2KMT2A
SCHEMBL8305671 0.75 SNCA (0.38) SNCACYP3A4CA1CA2KMT2A

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 10 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-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 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-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP 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
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed