SCHEMBL4537168

SCHEMBL4537168

COc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 1/20 0.47
PAX8 Q06710 1/20 0.43
FKBP1A P62942 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4542922 0.97 RAB9A (0.49) RAB9ANPC1PAX8
SCHEMBL4536862 0.91 ALDH1A1 (0.52) RAB9ANPC1PAX8
SCHEMBL4538117 0.88 FKBP1A (0.48) RAB9ANPC1PAX8FKBP1ALMNA
SCHEMBL8068365 0.87 RAB9A (0.42) RAB9ANPC1PAX8FKBP1ALMNA
SCHEMBL4541691 0.85 ALDH1A1 (0.44) RAB9ANPC1TSHR
SCHEMBL4542326 0.85 RAB9A (0.47) RAB9ANPC1
SCHEMBL4539816 0.85 RAB9A (0.60) RAB9ANPC1PAX8
SCHEMBL4537171 0.84 RAB9A (0.51) RAB9ANPC1PAX8LMNATSHR
SCHEMBL4540629 0.84 HCRTR1 (0.47) RAB9APAX8TSHR
SCHEMBL4537594 0.84 ALDH1A1 (0.51) NPC1TSHR

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