SCHEMBL5836209

SCHEMBL5836209

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5837477 0.92 CYP2D6 (0.33) CYP2D6CYP2C19ALDH1A1
SCHEMBL5837506 0.89 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL5836367 0.87 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL5836347 0.83 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5837911 0.81 CYP2D6 (0.35) CYP2D6CYP2C19ALDH1A1NPSR1
SCHEMBL5836998 0.80 EPHX2 (0.34) CYP2D6CYP2C19ALDH1A1NPSR1
SCHEMBL5838268 0.80 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL5837258 0.80 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL7211020 0.79 CYP2D6 (0.39) CYP2D6CYP2C19ALDH1A1NPSR1
SCHEMBL24703372 0.78 CYP2D6 (0.37) CYP2D6CYP2C19ALDH1A1

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