SCHEMBL5836367

SCHEMBL5836367

CCCOC(=O)C1(CC(=O)OC)CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL5836998 0.93 EPHX2 (0.34) CYP2D6CYP2C19EPHX2
SCHEMBL5836976 0.90 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5836209 0.87 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5836559 0.86 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5837911 0.82 CYP2D6 (0.35) CYP2D6CYP2C19EPHX2
SCHEMBL5837108 0.82 CYP2D6 (0.35) CYP2D6CYP2C19EPHX2
SCHEMBL5838108 0.81 CYP2D6 (0.36) CYP2D6CYP2C19EPHX2
SCHEMBL5837137 0.81 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5837900 0.81 CYP2D6 (0.31) CYP2D6CYP2C19EPHX2
SCHEMBL5838301 0.81 SMN1; SMN2 (0.32) CYP2D6CYP2C19EPHX2

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
US-7037993-B2 Norbornene-based ring-opening polymerization polymer, product of hydrogenation of norbornene-based ring-opening polymerization polymer, and processes for producing these ZEON CORPORATION (JP) 2006-05-02 US disclosed
US-20050148746-A1 Norbornene-based ring-opening polymerization polymer, product of hydrogenation of norbornene-based ring-opening polymerization polymer, and processes for producing these ZEON CORPORATION (JP) 2005-07-07 US disclosed