SCHEMBL8551594

SCHEMBL8551594

O=C(O)Cc1ccc(OC2CC(=O)N2CC(=O)NCCCCCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
TRPV1 Q8NER1 4/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8553916 0.92 ADAMTS5 (0.48) LTA4HEPHX2TRPV1ADAMTS5PLAAT3
SCHEMBL8552228 0.86 HRH3 (0.37) LTA4HEPHX2HRH3TRPV1ADAMTS5
SCHEMBL8552106 0.84 TRPV1 (0.50) EPHX2TRPV1KMT2A
SCHEMBL27499495 0.82 LMNA (0.48) TRPV1TP53KMT2A
SCHEMBL8554190 0.80 TRPV1 (0.43) TRPV1TP53KMT2A
SCHEMBL27498888 0.79 MAPT (0.47) HRH3TP53MAPTKMT2A
SCHEMBL8552214 0.78 TRPV1 (0.42) EPHX2TRPV1TP53KMT2A
SCHEMBL8623812 0.77 L3MBTL1 (0.39) HRH3TP53MAPTKMT2A
SCHEMBL8443114 0.75 KMT2A (0.47) KMT2A
SCHEMBL8553467 0.75 LMNA (0.48) EPHX2TRPV1KMT2A

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
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