SCHEMBL4539776

SCHEMBL4539776

O=C(CC1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.53
BRD2 P25440 4/20 0.53
BRD3 Q15059 3/20 0.49
BRDT Q58F21 3/20 0.49
BDKRB1 P46663 10/20 0.44
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4537833 0.89 RAB9A (0.48) EPHX1ALDH1A1LMNA
SCHEMBL4535072 0.89 BDKRB1 (0.56) BDKRB1
SCHEMBL4540868 0.87 BDKRB1 (0.49) BDKRB1EPHX1ALDH1A1
SCHEMBL4541294 0.87 PSEN1 (0.56) BDKRB1EPHX1ALDH1A1LMNA
SCHEMBL4537242 0.87 NPC1 (0.53) BDKRB1EPHX1ALDH1A1
SCHEMBL4535376 0.87 BRD4 (0.54) BRD4BRD2BRD3BRDTEPHX1
SCHEMBL4542153 0.86 ALDH1A1 (0.47) EPHX1ALDH1A1LMNA
SCHEMBL4536790 0.86 BDKRB1 (0.53) BRD4BRD2BDKRB1
SCHEMBL4535199 0.85 MMP1 (0.53) BDKRB1
SCHEMBL4542928 0.84 LMNA (0.55) BDKRB1EPHX1ALDH1A1LMNA

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