SCHEMBL4540868

SCHEMBL4540868

Cc1ccc(S(=O)(=O)N2CCCCC2CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.49
GFER P55789 1/20 0.47
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
EPHX1 P07099 1/20 0.45
PAX8 Q06710 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4541024 0.97 RAB9A (0.48) BDKRB1GFERRAB9APOLBEPHX1
SCHEMBL4541294 0.90 PSEN1 (0.56) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4537833 0.90 RAB9A (0.48) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL8062136 0.90 BDKRB1 (0.45) BDKRB1RAB9ANCOA1NCOA3PSEN1
SCHEMBL4537242 0.90 NPC1 (0.53) BDKRB1RAB9AEPHX1ALDH1A1
SCHEMBL4535199 0.89 MMP1 (0.53) BDKRB1RAB9APAX8
SCHEMBL4537661 0.88 HTR1A (0.48) BDKRB1RAB9AEPHX1
SCHEMBL4539776 0.87 BRD4 (0.53) BDKRB1EPHX1ALDH1A1
SCHEMBL4542928 0.87 LMNA (0.55) BDKRB1POLBPSEN1PSEN2APH1B
SCHEMBL4542153 0.87 ALDH1A1 (0.47) RAB9AEPHX1ALDH1A1TSHRGAA

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 2 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