SCHEMBL4535274

SCHEMBL4535274

O=C(CC1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.67
CYP2C9 P11712 4/20 0.46
CYP2J2 P51589 4/20 0.46
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4542284 0.95 EPHX2 (0.58) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4542529 0.89 EPHX2 (0.59) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4531267 0.89 EPHX2 (0.66) EPHX2CYP2C9CYP2J2ALDH1A1LMNA
SCHEMBL8069651 0.87 EPHX2 (0.59) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4535373 0.85 EPHX2 (0.46) EPHX2ALDH1A1LMNAGAAHTT
SCHEMBL4539590 0.83 EPHX2 (0.68) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4542310 0.83 EPHX2 (0.57) EPHX2CYP2C9CYP2J2ALDH1A1LMNA
SCHEMBL4534910 0.81 EPHX2 (0.46) EPHX2CYP2C9CYP2J2ALDH1A1LMNA
SCHEMBL13873320 0.81 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4537470 0.80 TAS1R3 (0.46) EPHX2ALDH1A1LMNAGAAHTT

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