SCHEMBL4537185

SCHEMBL4537185

COc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
PAX8 Q06710 1/20 0.56
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MMP1 P03956 2/20 0.51
MMP3 P08254 2/20 0.51
MMP7 P09237 1/20 0.51
MMP13 P45452 1/20 0.51
NPC1 O15118 3/20 0.51
EPHX2 P34913 3/20 0.48
EPHX1 P07099 2/20 0.48
POLB P06746 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
SCHEMBL8064929 0.97 RAB9A (0.59) RAB9APAX8ALDH1A1LMNANPSR1
SCHEMBL4542837 0.90 RAB9A (0.53) RAB9APAX8LMNAEPHX2EPHX1
SCHEMBL4534756 0.88 RAB9A (0.49) RAB9ANPC1EPHX2EPHX1
SCHEMBL4539998 0.88 LMNA (0.55) PAX8LMNANPSR1EPHX2EPHX1
SCHEMBL4538117 0.87 FKBP1A (0.48) RAB9APAX8ALDH1A1LMNANPSR1
SCHEMBL4535199 0.87 MMP1 (0.53) RAB9APAX8MMP1MMP3MMP7
SCHEMBL8062528 0.86 RAB9A (0.50) RAB9APAX8MMP1MMP3MMP7
SCHEMBL4535376 0.85 BRD4 (0.54) EPHX2EPHX1
SCHEMBL8069502 0.85 RAB9A (0.50) RAB9ANPC1EPHX2EPHX1
SCHEMBL4542461 0.85 RAB9A (0.50) RAB9ANPC1EPHX2EPHX1

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 claimed