SCHEMBL8552214

SCHEMBL8552214

C[S+]([O-])c1ccc(OC2CC(=O)N2CC(=O)NCCCCCCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ASAH1 Q13510 1/20 0.39
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 2/20 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
SCHEMBL8552106 0.89 TRPV1 (0.50) TRPV1KMT2AALDH1A1HPGDASAH1
SCHEMBL27499495 0.88 LMNA (0.48) TRPV1KMT2AALDH1A1ASAH1LMNA
SCHEMBL8553916 0.86 ADAMTS5 (0.48) TRPV1ALDH1A1ASAH1LMNATSHR
SCHEMBL8555180 0.86 TRPV1 (0.42) TRPV1KMT2AALDH1A1HPGDLMNA
SCHEMBL8554190 0.85 TRPV1 (0.43) TRPV1KMT2AALDH1A1HPGDASAH1
SCHEMBL8554387 0.81 TRPV1 (0.46) TRPV1KMT2AALDH1A1HPGDASAH1
SCHEMBL27494325 0.80 LMNA (0.45) TRPV1KMT2AASAH1LMNATP53
SCHEMBL8102633 0.80 TRPV1 (0.49) TRPV1KMT2AALDH1A1HPGDASAH1
SCHEMBL8553467 0.79 LMNA (0.48) TRPV1KMT2AALDH1A1HPGDASAH1
SCHEMBL8551155 0.79 TRPV1 (0.50) TRPV1KMT2AALDH1A1HPGDASAH1

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
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP claimed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed