SCHEMBL8553697

SCHEMBL8553697

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCCOCCOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 1/20 0.39
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 1/20 0.38
FOXM1 Q08050 1/20 0.38
KDM4E B2RXH2 3/20 0.37
RECQL P46063 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL8550149 0.90 PKM (0.43) PKMLMNATAAR1CHRNA7SMN1; SMN2
SCHEMBL8553858 0.89 USP2 (0.41) LMNACHRNA7SMN1; SMN2EPHX2RAB9A
SCHEMBL8772459 0.81 HTT (0.48) LMNASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL8772522 0.80 TRPV1 (0.46) LMNAEPHX2TSHRALDH1A1GAA
SCHEMBL8438732 0.79 TRPV1 (0.48) LMNAEPHX2TSHRALDH1A1GAA
SCHEMBL27515045 0.79 TRPV1 (0.48) LMNAEPHX2TSHRALDH1A1GAA
SCHEMBL27495125 0.79 TRPV1 (0.48) LMNAEPHX2TSHRALDH1A1GAA
SCHEMBL8442084 0.79 TRPV1 (0.48) LMNAEPHX2TSHRALDH1A1GAA
SCHEMBL8772503 0.79 TRPV1 (0.48) LMNAEPHX2TSHRALDH1A1GAA
SCHEMBL27493521 0.79 TRPV1 (0.48) LMNAEPHX2TSHRALDH1A1GAA

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