SCHEMBL6565597

SCHEMBL6565597

O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.68

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
SCHEMBL1420838 0.82 EPHX2 (1.00) EPHX2
SCHEMBL4358407 0.77 EPHX2 (0.65) EPHX2
SCHEMBL4351202 0.77 EPHX2 (0.65) EPHX2
SCHEMBL4348906 0.77 EPHX2 (0.73) EPHX2
SCHEMBL6568488 0.76 EPHX2 (1.00) EPHX2
SCHEMBL20866502 0.75 EPHX2 (0.61) EPHX2
SCHEMBL12932185 0.75 EPHX2 (1.00) EPHX2
SCHEMBL12932227 0.75 EPHX2 (1.00) EPHX2
SCHEMBL12932224 0.74 EPHX2 (1.00) EPHX2
SCHEMBL10351955 0.74 ALDH1A1 (0.60) EPHX2

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
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed