SCHEMBL8064929

SCHEMBL8064929

COc1ccc(S(=O)(=O)N2CCCC2CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
PAX8 Q06710 1/20 0.59
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 2/20 0.49
EPHX2 P34913 3/20 0.49
EPHX1 P07099 2/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 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
SCHEMBL4537185 0.97 RAB9A (0.56) RAB9APAX8ALDH1A1LMNANPSR1
SCHEMBL8069502 0.87 RAB9A (0.50) RAB9ANPC1EPHX2EPHX1
SCHEMBL4537316 0.87 LMNA (0.56) RAB9APAX8LMNANPSR1EPHX2
SCHEMBL4542461 0.87 RAB9A (0.50) RAB9ANPC1EPHX2EPHX1
SCHEMBL4542345 0.87 EPHX2 (0.56) RAB9AEPHX2EPHX1
SCHEMBL4542837 0.87 RAB9A (0.53) RAB9APAX8LMNAEPHX2EPHX1
SCHEMBL4542205 0.87 RAB9A (0.52) RAB9APAX8NPC1HCRTR1HCRTR2
SCHEMBL4539998 0.85 LMNA (0.55) PAX8LMNANPSR1EPHX2EPHX1
SCHEMBL4534756 0.85 RAB9A (0.49) RAB9ANPC1EPHX2EPHX1
SCHEMBL4538117 0.84 FKBP1A (0.48) RAB9APAX8ALDH1A1LMNANPSR1

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