SCHEMBL4542205

SCHEMBL4542205

COc1ccc(S(=O)(=O)N2CCCC2CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
PAX8 Q06710 1/20 0.52
MMP1 P03956 6/20 0.48
MMP3 P08254 5/20 0.48
MMP7 P09237 4/20 0.48
HCRTR1 O43613 3/20 0.48
HCRTR2 O43614 3/20 0.48
MMP13 P45452 3/20 0.48
MMP9 P14780 4/20 0.48
BDKRB1 P46663 1/20 0.47
CNR2 P34972 1/20 0.47
MMP2 P08253 3/20 0.47
MMP8 P22894 3/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL4535199 0.97 MMP1 (0.53) RAB9APAX8MMP1MMP3MMP7
SCHEMBL4541024 0.89 RAB9A (0.48) RAB9APAX8BDKRB1
SCHEMBL4535169 0.89 HTR7 (0.54) RAB9AHCRTR1HCRTR2BDKRB1CNR2
SCHEMBL4542928 0.87 LMNA (0.55) PAX8HCRTR1HCRTR2BDKRB1
SCHEMBL4542153 0.87 ALDH1A1 (0.47) RAB9ANPC1
SCHEMBL4542819 0.87 RAB9A (0.54) RAB9ANPC1
SCHEMBL8064929 0.87 RAB9A (0.59) RAB9APAX8MMP1MMP3MMP7
SCHEMBL4540868 0.86 BDKRB1 (0.49) RAB9APAX8BDKRB1
SCHEMBL4537833 0.84 RAB9A (0.48) RAB9ANPC1
SCHEMBL4541294 0.84 PSEN1 (0.56) PAX8BDKRB1

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