SCHEMBL8062136

SCHEMBL8062136

Cc1ccc(S(=O)(=O)N2CCCCC2CC(=O)N[C@@]23CC4C[C@H](CCC[C@H]4C2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.45
RAB9A P51151 2/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PAX8 Q06710 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8062139 0.91 RAB9A (0.43) RAB9ATSHRTP53L3MBTL1PSEN1
SCHEMBL4540868 0.90 BDKRB1 (0.49) BDKRB1RAB9ANCOA1NCOA3TSHR
SCHEMBL8058321 0.90 HTR7 (0.46) BDKRB1
SCHEMBL4541024 0.87 RAB9A (0.48) BDKRB1RAB9AL3MBTL1PAX8GAA
SCHEMBL8049742 0.86 EPHX2 (0.39) BDKRB1MCOLN3ALDH1A1
SCHEMBL8070991 0.83 HSD11B1 (0.53)
SCHEMBL8060066 0.82 PSEN1 (0.50) BDKRB1TSHRTP53PAX8PSEN1
SCHEMBL4541294 0.80 PSEN1 (0.56) BDKRB1TSHRPAX8PSEN1PSEN2
SCHEMBL4537833 0.80 RAB9A (0.48) RAB9ATSHRL3MBTL1PSEN1PSEN2
SCHEMBL4537242 0.80 NPC1 (0.53) BDKRB1RAB9AALDH1A1FKBP1A

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