SCHEMBL7533683

SCHEMBL7533683

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.73
CCR8 P51685 1/20 0.53
NR1H2 P55055 1/20 0.53
SFRP1 Q8N474 2/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GPR119 Q8TDV5 2/20 0.51
MMP13 P45452 1/20 0.51
BRD4 O60885 1/20 0.50

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
SCHEMBL6195397 0.89 STS (0.58) STSCCR8SFRP1HTTNPC1
SCHEMBL2961651 0.89 MMP13 (0.62) STSCCR8NR1H2SFRP1ALDH1A1
SCHEMBL4602370 0.88 MMP13 (0.63) STSCCR8NR1H2SFRP1GPR119
SCHEMBL3413300 0.88 STS (0.57) STSCCR8SFRP1HTTALDH1A1
SCHEMBL24169967 0.87 CCR8 (0.57) STSCCR8SFRP1GPR119MMP13
SCHEMBL17729016 0.86 STS (0.62) STSNR1H2SFRP1MMP13BRD4
SCHEMBL21292730 0.86 STS (0.55) STSCCR8SFRP1ALDH1A1GPR119
SCHEMBL15504588 0.86 STS (0.55) STSCCR8NR1H2SFRP1ALDH1A1
SCHEMBL21292735 0.86 STS (0.55) STSCCR8SFRP1GPR119MMP13
SCHEMBL21292864 0.86 STS (0.57) STSCCR8SFRP1ALDH1A1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1190710-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DIABETES SHIONOGI & CO., LTD. (JP) 2002-03-27 EP disclosed