SCHEMBL4537057

SCHEMBL4537057

CCCCS(=O)(=O)N1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.57
EPHX2 P34913 11/20 0.48
CACNA1H O95180 2/20 0.43
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL4535721 0.85 EPHX2 (0.63) EPHX1EPHX2
SCHEMBL4537349 0.80 EPHX2 (0.69) EPHX1EPHX2
SCHEMBL4539949 0.79 EPHX1 (0.55) EPHX1EPHX2CACNA1HLMNA
SCHEMBL4535944 0.76 EPHX1 (0.52) EPHX1EPHX2LMNA
SCHEMBL4540431 0.76 NPC1 (0.55) EPHX1EPHX2LMNA
SCHEMBL8060150 0.75 EPHX1 (0.56) EPHX1EPHX2CACNA1HFAAH
SCHEMBL4539129 0.74 EPHX2 (0.52) EPHX1EPHX2CACNA1HLMNA
SCHEMBL4539274 0.74 CYP3A4 (0.51) EPHX1EPHX2LMNA
SCHEMBL4536776 0.74 LMNA (0.62) EPHX1EPHX2LMNA
SCHEMBL4540032 0.74 PKM (0.51) EPHX1EPHX2LMNA

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