SCHEMBL4257617

SCHEMBL4257617

CCOC(=O)CCC1(C)CC2C=CC1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
USP2 O75604 1/20 0.35
EPHX2 P34913 10/20 0.35
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 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
SCHEMBL202057 0.85 CYP2D6 (0.38) CYP2D6CYP2C19ALOX15ALDH1A1TDP1
SCHEMBL5837476 0.81 CYP2D6 (0.35) CYP2D6CYP2C19ALOX15ALDH1A1TDP1
SCHEMBL5837479 0.81 CYP2D6 (0.35) CYP2D6CYP2C19ALOX15ALDH1A1TDP1
SCHEMBL5079078 0.80 CYP2D6 (0.37) CYP2D6CYP2C19KDM4E
SCHEMBL5837298 0.79 EPHX2 (0.35) CYP2D6CYP2C19ALOX15ALDH1A1TDP1
SCHEMBL5358484 0.78 ALDH1A1 (0.38) CYP2D6CYP2C19ALDH1A1
SCHEMBL5073008 0.75 PTGS1 (0.36) CYP2D6CYP2C19ALDH1A1EPHX2ADORA3
SCHEMBL1698056 0.75 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL5075112 0.74 PTGS1 (0.37) CYP2D6CYP2C19ALOX15ALDH1A1TDP1
SCHEMBL5837786 0.73 ADAM17 (0.33) CYP2D6CYP2C19EPHX2TSHRGAA

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-20090292088-A1 PROCESS FOR PRODUCTION OF CYCLIC OLEFIN ADDITION POLYMER JSR CORPORATION (JP) 2009-11-26 US disclosed
EP-1961774-A1 PROCESS FOR PRODUCTION OF CYCLIC OLEFIN ADDITION POLYMER JSR Corporation (JP) 2008-08-27 EP disclosed