SCHEMBL8553916

SCHEMBL8553916

O=C(CN1C(=O)CC1Oc1ccc(Cl)cc1)NCCCCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.48
TRPV1 Q8NER1 2/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
ADAMTS4 O75173 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ASAH1 Q13510 3/20 0.43
TAAR1 Q96RJ0 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
CNR1 P21554 1/20 0.42
TSHR P16473 1/20 0.41

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 0.93 TRPV1 (0.50) TRPV1LMNAL3MBTL1ALDH1A1ASAH1
SCHEMBL8551594 0.92 LTA4H (0.42) ADAMTS5TRPV1PLAAT3PLAAT5PLAAT2
SCHEMBL27499495 0.90 LMNA (0.48) TRPV1LMNAALDH1A1TP53ASAH1
SCHEMBL8554190 0.88 TRPV1 (0.43) TRPV1LMNAL3MBTL1ALDH1A1TP53
SCHEMBL8552214 0.86 TRPV1 (0.42) TRPV1LMNAL3MBTL1ALDH1A1TP53
SCHEMBL8552228 0.84 HRH3 (0.37) ADAMTS5TRPV1TP53MAPTLTA4H
SCHEMBL8553467 0.83 LMNA (0.48) TRPV1LMNAL3MBTL1ALDH1A1ASAH1
SCHEMBL8551155 0.83 TRPV1 (0.50) TRPV1LMNAL3MBTL1ALDH1A1ASAH1
SCHEMBL8554387 0.82 TRPV1 (0.46) TRPV1LMNAL3MBTL1ALDH1A1TP53
SCHEMBL8555006 0.82 TRPV1 (0.46) TRPV1LMNAL3MBTL1ALDH1A1EPHX2

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