SCHEMBL8069507

SCHEMBL8069507

O=C(CC1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)NC12CC3CC4CC(C1)C2(C4)C3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
BDKRB1 P46663 2/20 0.44
GHSR Q92847 3/20 0.37
CASP3 P42574 2/20 0.37
CASP1 P29466 1/20 0.37
CASP2 P42575 1/20 0.37
CASP4 P49662 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
RAB9A P51151 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
SCHEMBL8053617 0.80 RAB9A (0.44) RAB9A
SCHEMBL4542819 0.79 RAB9A (0.54) RAB9A
SCHEMBL4537242 0.77 NPC1 (0.53) BDKRB1RAB9A
SCHEMBL8062877 0.77 ALDH1A1 (0.50)
SCHEMBL8066636 0.75 RAB9A (0.46) RAB9A
SCHEMBL8068354 0.75 PSEN1 (0.47) BDKRB1
SCHEMBL4541024 0.74 RAB9A (0.48) BDKRB1RAB9A
SCHEMBL4542153 0.74 ALDH1A1 (0.47) RAB9A
SCHEMBL4542928 0.74 LMNA (0.55) BDKRB1CASP1
SCHEMBL8062528 0.73 RAB9A (0.50) MMP2MMP9RAB9A

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed