SCHEMBL4542593

SCHEMBL4542593

Cc1cccc(S(=O)(=O)N2CCCC(CNC(=O)NC34CC5CC(CC(C5)C3)C4)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 16/20 0.50
EPHX2 P34913 16/20 0.50
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL4537521 0.95 LMNA (0.54) EPHX1EPHX2LMNAUSP2
SCHEMBL4536850 0.89 EPHX1 (0.52) EPHX1EPHX2LMNAUSP2
SCHEMBL4542200 0.89 LMNA (0.54) EPHX1EPHX2LMNA
SCHEMBL8062904 0.89 EPHX2 (0.59) EPHX1EPHX2
SCHEMBL4537048 0.87 LMNA (0.47) EPHX1EPHX2LMNAUSP2
SCHEMBL4537741 0.87 EPHX2 (0.44) EPHX2LMNA
SCHEMBL4537187 0.84 EPHX1 (0.52) EPHX1EPHX2LMNAUSP2
SCHEMBL4540068 0.84 EPHX1 (0.54) EPHX1EPHX2LMNAUSP2
SCHEMBL4537966 0.84 LMNA (0.57) EPHX1EPHX2LMNA
SCHEMBL4539990 0.84 USP2 (0.56) EPHX1EPHX2LMNAUSP2

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 1 patent. 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 disclosed