SCHEMBL4531367

SCHEMBL4531367

O=C(NCC1CCCCN1S(=O)(=O)c1ccccc1Cl)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL4542462 0.97 RAB9A (0.46) RAB9AHSD11B1
SCHEMBL4537228 0.88 POLB (0.41) RAB9AKMT2A
SCHEMBL4533525 0.88 KMT2A (0.48) RAB9AKMT2AALDH1A1MCOLN3MEN1
SCHEMBL4539752 0.87 HSD11B1 (0.56) RAB9AHSD11B1
SCHEMBL4531594 0.87 TDP1 (0.42) RAB9AOPRM1OPRK1HSD11B1
SCHEMBL4534767 0.86 FAAH (0.41) OPRM1OPRK1HSD11B1KMT2AALDH1A1
SCHEMBL4537339 0.85 ATM (0.49) RAB9AOPRM1OPRK1KMT2AALDH1A1
SCHEMBL4537566 0.85 RAB9A (0.57) RAB9AALDH1A1
SCHEMBL4530295 0.85 POLB (0.44) RAB9A
SCHEMBL4537325 0.84 MEN1 (0.51) RAB9AKMT2AMEN1L3MBTL1

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