SCHEMBL4542596

SCHEMBL4542596

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RORC P51449 1/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 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
SCHEMBL4531292 0.90 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537060 0.90 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4535933 0.89 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4538141 0.87 BDKRB1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4541043 0.87 ITGB1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4536842 0.87 RAB9A (0.50) MAPTSMN1; SMN2RAB9AALDH1A1TSHR
SCHEMBL4542906 0.86 TP53 (0.43) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL4541106 0.86 VCAM1 (0.48) MAPTSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL4538787 0.86 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4542333 0.86 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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