SCHEMBL4534767

SCHEMBL4534767

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
HSD11B1 P28845 1/20 0.41
EPHX2 P34913 1/20 0.41
KCNQ1 P51787 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 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
SCHEMBL4537066 0.97 FAAH (0.42) FAAHHSD11B1EPHX2
SCHEMBL4539833 0.91 HSD11B1 (0.53) HSD11B1TP53
SCHEMBL4539656 0.89 POLB (0.40) EPHX2HTT
SCHEMBL4541794 0.88 HSD11B1 (0.54) HSD11B1TP53
SCHEMBL4531367 0.86 RAB9A (0.43) FAAHHSD11B1KMT2AMEN1USP2
SCHEMBL4541720 0.85 POLB (0.43)
SCHEMBL4530195 0.85 NPC1 (0.47) KMT2AMEN1L3MBTL1
SCHEMBL4539999 0.84 PSEN1 (0.56) ALDH1A1
SCHEMBL4542462 0.83 RAB9A (0.46) HSD11B1
SCHEMBL4541740 0.83 HCRTR1 (0.51) KMT2AMEN1LMNASMN1; SMN2L3MBTL1

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