Sugi Predict

Sugi Predict / Compounds / SCHEMBL4530191

SCHEMBL4530191

SCHEMBL4530191

Cc1ccccc1S(=O)(=O)N1CCCC1CNC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.50
▸ EPHX1 P07099 10/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL4537063 0.89 EPHX2 (0.52) EPHX2EPHX1MAPK1
SCHEMBL8067423 0.89 EPHX2 (0.52) EPHX2EPHX1MAPK1
SCHEMBL4541793 0.87 HSD11B1 (0.52) EPHX2EPHX1
SCHEMBL8063666 0.87 HSD11B1 (0.52) EPHX2EPHX1
SCHEMBL4537324 0.86 MEN1 (0.47) NPC1RAB9A
SCHEMBL4541773 0.86 EPHX2 (0.45) EPHX2EPHX1NPC1RAB9A
SCHEMBL4542345 0.86 EPHX2 (0.56) EPHX2EPHX1RAB9AMAPK1
SCHEMBL4541739 0.86 EPHX2 (0.48) EPHX2EPHX1MAPK1
SCHEMBL4534763 0.86 EPHX1 (0.52) EPHX2EPHX1MAPK1
SCHEMBL4539832 0.84 HSD11B1 (0.54) EPHX2EPHX1

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 — — WO disclosed