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SCHEMBL4539592

SCHEMBL4539592

O=C(NCC1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 16/20 0.70
▸ CYP2C9 P11712 3/20 0.48
▸ CYP2J2 P51589 3/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL4537424 0.95 EPHX2 (0.63) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4531022 0.89 EPHX2 (0.61) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4531270 0.87 EPHX2 (0.68) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4537571 0.86 NPC1 (0.52) EPHX2KMT2A
SCHEMBL4539590 0.83 EPHX2 (0.68) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873320 0.83 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4537464 0.83 EPHX2 (0.51) EPHX2CYP2C9CYP2J2
SCHEMBL4542312 0.82 EPHX2 (0.61) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4542903 0.80 EPHX2 (0.48) EPHX2CYP2C9CYP2J2
SCHEMBL4531267 0.78 EPHX2 (0.66) EPHX2CYP2C9CYP2J2

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