SCHEMBL8554206

SCHEMBL8554206

O=C(CN1C(=O)CC1S(=O)(=O)Cc1ccccc1)NCCC#CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL8442243 0.85 TRPV1 (0.49) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8809750 0.84 POLB (0.41) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8552404 0.84 POLB (0.41) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8521285 0.81 MEN1 (0.47) POLBLMNAL3MBTL1ALDH1A1HTT
SCHEMBL8521282 0.81 MEN1 (0.47) POLBLMNAL3MBTL1ALDH1A1HTT
SCHEMBL8522522 0.81 MEN1 (0.47) POLBLMNAL3MBTL1ALDH1A1HTT
SCHEMBL8549758 0.81 TRPV1 (0.44) POLBLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8442958 0.81 MAPT (0.47) POLBLMNARAB9AMEN1KMT2A
SCHEMBL8440327 0.81 TRPV1 (0.44) POLBLMNAL3MBTL1ALDH1A1RAB9A
SCHEMBL8554153 0.80 HPGD (0.46) POLBLMNAL3MBTL1ALDH1A1HTT

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