SCHEMBL8109827

SCHEMBL8109827

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
SIGMAR1 Q99720 9/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR3 P51677 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8772475 0.85 FAAH (0.42) FAAHMGLLSIGMAR1GSK3AGSK3B
SCHEMBL8439618 0.84 GSK3A (0.43) FAAHMGLLSIGMAR1GSK3AGSK3B
SCHEMBL8104210 0.82 MAPT (0.43) FAAH
SCHEMBL8104122 0.82 MAPT (0.43) FAAH
SCHEMBL8104172 0.81 EHMT2 (0.44) MEN1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL8102574 0.81 HDAC3 (0.40) FAAHTDP1MEN1KMT2A
SCHEMBL8772495 0.81 GSK3A (0.41) SIGMAR1GSK3AGSK3BL3MBTL1MEN1
SCHEMBL8552234 0.80 PLA2G7 (0.46) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL8104208 0.79 TRPV1 (0.40) L3MBTL1TSHRKMT2A
SCHEMBL8772509 0.79 TSHR (0.44) SIGMAR1TDP1L3MBTL1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed