SCHEMBL8619484

SCHEMBL8619484

O=C1CC([S+]([O-])Cc2ccccc2)N1CCCCCCc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
SIGMAR1 Q99720 7/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
CCR3 P51677 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NAAA Q02083 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
SCHEMBL8439618 0.93 GSK3A (0.43) GSK3BGSK3ASIGMAR1TDP1L3MBTL1
SCHEMBL8772475 0.92 FAAH (0.42) GSK3BGSK3ASIGMAR1TDP1L3MBTL1
SCHEMBL8772495 0.88 GSK3A (0.41) GSK3BGSK3ASIGMAR1L3MBTL1MEN1
SCHEMBL8772398 0.87 GSK3A (0.39) GSK3BGSK3ASIGMAR1TDP1L3MBTL1
SCHEMBL8772402 0.87 HTR2A (0.43) GSK3BGSK3ASIGMAR1MEN1CYP1A2
SCHEMBL8592992 0.83 TRPV1 (0.43) L3MBTL1TSHRKMT2A
SCHEMBL8550924 0.83 TRPV1 (0.43) L3MBTL1TSHRKMT2A
SCHEMBL8772523 0.83 HCRTR1 (0.43) GSK3BGSK3AL3MBTL1MGLLMEN1
SCHEMBL8555803 0.83 HRH3 (0.41) SIGMAR1
SCHEMBL8109827 0.78 FAAH (0.43) GSK3BGSK3ASIGMAR1TDP1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP disclosed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed