SCHEMBL8439355

SCHEMBL8439355

O=C1CC(S(=O)(=O)Cc2ccccc2)N1CCCCCCCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 7/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
NAAA Q02083 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER4 P35408 1/20 0.39
CCR3 P51677 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 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
SCHEMBL8623161 0.93 GSK3B (0.39) GSK3AGSK3BTDP1L3MBTL1SIGMAR1
SCHEMBL8772454 0.93 POLB (0.42) GSK3AGSK3BTDP1L3MBTL1SIGMAR1
SCHEMBL8772449 0.93 CYP1A2 (0.42) GSK3AGSK3BTDP1L3MBTL1GAA
SCHEMBL8552263 0.86 HRH1 (0.39) NAAASMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL8104154 0.84 FAAH (0.44) GSK3AGSK3BTDP1L3MBTL1SIGMAR1
SCHEMBL8442243 0.81 TRPV1 (0.49) L3MBTL1GAASMN1; SMN2ALDH1A1TSHR
SCHEMBL8772533 0.80 KCNA5 (0.42) GAAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL8550864 0.78 HDAC1 (0.39) MEN1KMT2A
SCHEMBL8440706 0.77 HMOX1 (0.40) TDP1L3MBTL1GAAMAPK1HTT
SCHEMBL8772491 0.77 HTR2A (0.42) GSK3AGSK3BTDP1L3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
US-5534535-A ANTIVIRAL ANALOGS WITH SUBSTITUTED BENZIMIDAZOLE BASE BURROUGHS WELLCOME CO. (US) 1996-07-09 US disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
EP-0630368-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018009-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-16 WO disclosed