SCHEMBL4540476

SCHEMBL4540476

O=C(NCC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.51
EPHX1 P07099 13/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL4537391 0.89 EPHX1 (0.53) EPHX2EPHX1LMNA
SCHEMBL4537706 0.88 EPHX2 (0.48) EPHX2EPHX1USP2LMNAKMT2A
SCHEMBL4537187 0.88 EPHX1 (0.52) EPHX2EPHX1USP2LMNA
SCHEMBL4540068 0.86 EPHX1 (0.54) EPHX2EPHX1USP2LMNA
SCHEMBL4537521 0.86 LMNA (0.54) EPHX2EPHX1USP2LMNA
SCHEMBL8061471 0.86 KMT2A (0.43) EPHX2USP2LMNAKMT2AL3MBTL1
SCHEMBL4541299 0.85 EPHX1 (0.51) EPHX2EPHX1LMNA
SCHEMBL4541867 0.84 CNR1 (0.51) EPHX2EPHX1USP2LMNAKMT2A
SCHEMBL4538146 0.84 CNR1 (0.47) EPHX2EPHX1USP2LMNAKMT2A
SCHEMBL4539990 0.84 USP2 (0.56) EPHX2EPHX1USP2LMNAKMT2A

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 claimed