SCHEMBL4537814

SCHEMBL4537814

Cc1ccccc1S(=O)(=O)N1CCCCC1CC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
HSD11B1 P28845 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PSMB5 P28074 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
SCHEMBL4541773 0.97 EPHX2 (0.45) EPHX2EPHX1ALDH1A1KMT2AHSD11B1
SCHEMBL8049742 0.90 EPHX2 (0.39) EPHX2ALDH1A1KMT2AMCOLN3HSD11B1
SCHEMBL4541277 0.88 HSD11B1 (0.46) EPHX2EPHX1ALDH1A1KMT2AMCOLN3
SCHEMBL4534331 0.87 HSD11B1 (0.57) EPHX2EPHX1HSD11B1
SCHEMBL4537242 0.86 NPC1 (0.53) EPHX2EPHX1ALDH1A1KMT2AHSD11B1
SCHEMBL4537540 0.86 HCRTR1 (0.46) EPHX1ALDH1A1KMT2AMCOLN3HSD11B1
SCHEMBL4541290 0.85 HSD11B1 (0.47) EPHX2EPHX1ALDH1A1KMT2AHSD11B1
SCHEMBL8067220 0.85 ALDH1A1 (0.54) EPHX1ALDH1A1KMT2AHSD11B1NPC1
SCHEMBL4541031 0.85 ALDH1A1 (0.54) EPHX1ALDH1A1KMT2AHSD11B1NPC1
SCHEMBL4538162 0.85 KMT2A (0.52) EPHX2EPHX1ALDH1A1KMT2ACNR2

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