SCHEMBL4535376

SCHEMBL4535376

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.54
BRD2 P25440 4/20 0.54
BRD3 Q15059 3/20 0.49
BRDT Q58F21 3/20 0.49
EPHX1 P07099 10/20 0.47
EPHX2 P34913 9/20 0.47

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
SCHEMBL4534756 0.90 RAB9A (0.49) EPHX1EPHX2
SCHEMBL4542837 0.88 RAB9A (0.53) EPHX1EPHX2
SCHEMBL4539998 0.88 LMNA (0.55) EPHX1EPHX2
SCHEMBL4539776 0.87 BRD4 (0.53) BRD4BRD2BRD3BRDTEPHX1
SCHEMBL8069510 0.87 BRD4 (0.53) BRD4BRD2BRD3BRDTEPHX2
SCHEMBL4542461 0.87 RAB9A (0.50) EPHX1EPHX2
SCHEMBL8069502 0.87 RAB9A (0.50) EPHX1EPHX2
SCHEMBL8064960 0.86 EPHX2 (0.50) BRD4BRD2EPHX1EPHX2
SCHEMBL4537185 0.85 RAB9A (0.56) EPHX1EPHX2
SCHEMBL4537316 0.85 LMNA (0.56) EPHX1EPHX2

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