Sugi Predict

Sugi Predict / Compounds / SCHEMBL4537539

SCHEMBL4537539

SCHEMBL4537539

O=C(NCC1CCN(S(=O)(=O)c2ccccc2F)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.56
▸ EPHX1 P07099 18/20 0.56
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4539563 0.88 EPHX2 (0.56) EPHX2EPHX1MAPK1
SCHEMBL4537182 0.88 EPHX2 (0.58) EPHX2EPHX1MAPK1
SCHEMBL4541178 0.86 EPHX1 (0.50) EPHX2EPHX1ALDH1A1
SCHEMBL4537010 0.86 EPHX2 (0.55) EPHX2EPHX1
SCHEMBL4535921 0.84 EPHX1 (0.53) EPHX2EPHX1ALDH1A1
SCHEMBL4539882 0.84 EPHX1 (0.56) EPHX2EPHX1MAPK1
SCHEMBL8062507 0.84 EPHX2 (0.53) EPHX2EPHX1MAPK1
SCHEMBL8065460 0.84 EPHX1 (0.56) EPHX2EPHX1MAPK1
SCHEMBL4537187 0.83 EPHX1 (0.52) EPHX2EPHX1ALDH1A1
SCHEMBL4535452 0.82 EPHX2 (0.58) EPHX2EPHX1MAPK1ALDH1A1

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