SCHEMBL8772475

SCHEMBL8772475

O=C1CC([S+]([O-])Cc2ccccc2)N1CCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SIGMAR1 Q99720 7/20 0.41
CCR3 P51677 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER4 P35408 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
NAAA Q02083 1/20 0.38

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 0.99 GSK3A (0.43) FAAHMGLLGSK3AGSK3BSIGMAR1
SCHEMBL8772495 0.96 GSK3A (0.41) GSK3AGSK3BSIGMAR1MEN1KMT2A
SCHEMBL8619484 0.92 GSK3B (0.39) FAAHMGLLGSK3AGSK3BSIGMAR1
SCHEMBL8772402 0.92 HTR2A (0.43) GSK3AGSK3BSIGMAR1MEN1CYP1A2
SCHEMBL8772398 0.92 GSK3A (0.39) FAAHMGLLGSK3AGSK3BSIGMAR1
SCHEMBL8772523 0.91 HCRTR1 (0.43) MGLLGSK3AGSK3BMEN1KMT2A
SCHEMBL8555803 0.88 HRH3 (0.41) SIGMAR1
SCHEMBL8109827 0.85 FAAH (0.43) FAAHMGLLGSK3AGSK3BSIGMAR1
SCHEMBL8553771 0.84 TMEM97 (0.44) SIGMAR1MEN1TSHRKMT2A
SCHEMBL27499799 0.84 TEAD3 (0.40) MEN1TSHRKMT2A

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-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed