SCHEMBL8550149

SCHEMBL8550149

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCCCCCOc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
LMNA P02545 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
RECQL P46063 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.38
ALOX12 P18054 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CHRNA7 P36544 1/20 0.37
USP2 O75604 1/20 0.37
NAMPT P43490 1/20 0.37
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
TERT O14746 1/20 0.36

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
SCHEMBL8553697 0.90 PKM (0.44) PKMLMNATAAR1RECQLSMN1; SMN2
SCHEMBL8772503 0.88 TRPV1 (0.48) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL27515042 0.88 TRPV1 (0.48) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL8438732 0.88 TRPV1 (0.48) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL27493521 0.88 TRPV1 (0.48) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL27515045 0.88 TRPV1 (0.48) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL27495125 0.88 TRPV1 (0.48) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL8442084 0.88 TRPV1 (0.48) LMNAHPGDKMT2AL3MBTL1TSHR
SCHEMBL8549785 0.87 HPGD (0.46) MEN1HPGDKMT2ANAMPTEPHX2
SCHEMBL8772522 0.87 TRPV1 (0.46) LMNAHPGDKMT2AL3MBTL1TSHR

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