SCHEMBL5836624

SCHEMBL5836624

CCOC(=O)C1(CCC(=O)O)CC2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADAM17 P78536 1/20 0.34
OPRM1 P35372 1/20 0.32
MAPK1 P28482 1/20 0.30
SLC22A1 O15245 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
SCHEMBL5837476 0.89 CYP2D6 (0.35) CYP2D6CYP2C19ADAM17MAPK1
SCHEMBL5837786 0.87 ADAM17 (0.33) CYP2D6CYP2C19ADAM17MAPK1
SCHEMBL5837506 0.86 CYP2D6 (0.36) CYP2D6CYP2C19ADAM17OPRM1SLC22A1
SCHEMBL5837547 0.86 CYP2D6 (0.33) CYP2D6CYP2C19ADAM17
SCHEMBL32688640 0.85 AKT1 (0.35) CYP2D6CYP2C19ADAM17MAPK1
SCHEMBL32688968 0.84 CYP2D6 (0.42) CYP2D6CYP2C19ADAM17OPRM1MAPK1
SCHEMBL5837438 0.82 EPHX2 (0.34) CYP2D6CYP2C19ADAM17
SCHEMBL5837298 0.82 EPHX2 (0.35) CYP2D6CYP2C19
SCHEMBL5837479 0.81 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5837266 0.81 CYP2D6 (0.34) CYP2D6CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100386357-C Norbornene-based ring-opening polymerization polymer, product of hydrogenation of norbornene-based ring-opening polymerization polymer, and processes for producing these ZEON CORP (JP) 2008-05-07 CN disclosed
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
CN-1659205-A Norbornene-based ring-opening polymer, hydrogenation product of norbornene-based ring-opening polymer, and method for producing same ZEON CORP (JP) 2005-08-24 CN 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