SCHEMBL2853170

SCHEMBL2853170

CC=CCC1CCOC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
NOS2 P35228 2/20 0.35
NOS1 P29475 1/20 0.33

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
SCHEMBL2853168 1.00 CYP1A2 (0.50) CYP1A2NOS2NOS1
SCHEMBL27089988 0.82 CYP1A2 (0.56) CYP1A2
SCHEMBL1365503 0.77 CYP1A2 (0.49) CYP1A2NOS2NOS1
SCHEMBL894093 0.74
SCHEMBL5691281 0.72 KCNH3 (0.33) NOS2
SCHEMBL23788357 0.71 NOS2 (0.41) NOS2NOS1
SCHEMBL893893 0.71 CYP1A2 (0.76) CYP1A2NOS2NOS1
SCHEMBL24573695 0.70 NOS2 (0.44) NOS2NOS1
SCHEMBL24592142 0.69 CYP1A2 (0.53) CYP1A2
SCHEMBL3626372 0.69 CYP1A2 (0.57) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758949-B1 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF CANON KK (JP) 2010-01-13 EP disclosed
US-7465779-B2 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group and sulfonic acid group, and production method thereof CANON KABUSHIKI KAISHA (JP) 2008-12-16 US disclosed
EP-1758949-A2 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF Canon Kabushiki Kaisha (JP) 2007-03-07 EP disclosed
US-20060247414-A1 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group and sulfonic acid group, and production method thereof CANON KABUSHIKI KAISHA (JP) 2006-11-02 US disclosed
WO-2005121206-A2 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed