Sugi Predict

Sugi Predict / Compounds / SCHEMBL4535452

SCHEMBL4535452

SCHEMBL4535452

O=C(NCC1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 19/20 0.58
▸ EPHX1 P07099 17/20 0.58
▸ MAPK1 P28482 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4537354 0.94 EPHX1 (0.63) EPHX2EPHX1ALDH1A1L3MBTL1
SCHEMBL8062904 0.89 EPHX2 (0.59) EPHX2EPHX1MAPK1ALDH1A1L3MBTL1
SCHEMBL4537966 0.88 LMNA (0.57) EPHX2EPHX1
SCHEMBL4535921 0.88 EPHX1 (0.53) EPHX2EPHX1ALDH1A1
SCHEMBL4539041 0.88 LMNA (0.60) EPHX2EPHX1
SCHEMBL8064838 0.88 EPHX1 (0.68) EPHX2EPHX1ALDH1A1L3MBTL1
SCHEMBL4543052 0.86 NPC1 (0.48) EPHX2EPHX1ALDH1A1
SCHEMBL4537391 0.85 EPHX1 (0.53) EPHX2EPHX1ALDH1A1
SCHEMBL4535739 0.85 EPHX2 (0.54) EPHX2EPHX1ALDH1A1
SCHEMBL8066757 0.85 ALDH1A1 (0.43) EPHX2EPHX1ALDH1A1L3MBTL1

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