SCHEMBL12963166

SCHEMBL12963166

C=CCC(CC=C)(COC(=O)CC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
PKM P14618 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAAA Q02083 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
MAPK1 P28482 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 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
SCHEMBL1361264 0.84 CYP4F2 (0.44) CYP4F2CYP4A11MGAMGAASI
SCHEMBL10136665 0.81 CYP4F2 (0.38) CYP4F2CYP4A11PKMKDM4EMEN1
SCHEMBL16150101 0.80 CYP4F2 (0.50) CYP4F2CYP4A11MGAMGAASI
SCHEMBL10023943 0.80 CYP4F2 (0.50) CYP4F2CYP4A11MGAMGAASI
SCHEMBL23132525 0.76 CYP4F2 (0.42) CYP4F2CYP4A11MGAMGAASI
SCHEMBL6910898 0.76 CYP4F2 (0.39) CYP4F2CYP4A11PKMKDM4EMEN1
SCHEMBL15070911 0.73 CYP4F2 (0.47) CYP4F2CYP4A11PKMKDM4EMEN1
SCHEMBL283884 0.72 MEN1 (0.46) CYP4F2CYP4A11MGAMGAASI
SCHEMBL5819364 0.72 ALDH1A1 (0.39) CYP4F2CYP4A11MGAMGAASI
SCHEMBL17206359 0.72 ALDH1A1 (0.39) CYP4F2CYP4A11MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875683-B2 subjecting them to a metathesis reaction in the presence of specific rhodium- or ruthenium-containing catalyst; increase in the reaction rate and the setting of lower molecular weights of the degraded nitrite rubber LANXESS DEUTSCHLAND GMBH (DE) 2011-01-25 US disclosed
US-7737233-B2 Catalyst systems and their use for metathesis reactions LANXESS DEUTSCHLAND GMBH (DE) 2010-06-15 US disclosed
EP-2147721-A1 Catalyst systems and their use in metathesis reactions Lanxess Deutschland GmbH (DE) 2010-01-27 EP disclosed
EP-2145680-A1 Catalyst systems and their use in metathesis reactions Lanxess Deutschland GmbH (DE) 2010-01-20 EP disclosed
EP-2145681-A1 Method for the reduction of the molecular weight of nitrile rubber Lanxess Deutschland GmbH (DE) 2010-01-20 EP disclosed
EP-2143489-A1 Catalyst systems and their use in metathesis reactions Lanxess Deutschland GmbH (DE) 2010-01-13 EP disclosed
US-20090076227-A1 PROCESS FOR THE METATHETIC DEGRADATION OF NITRILE RUBBER LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 US disclosed
US-20090069516-A1 CATALYST SYSTEMS AND THEIR USE FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
EP-2030988-A1 Method for metathesis decomposition of nitrile rubbers Lanxess Deutschland GmbH (DE) 2009-03-04 EP disclosed
EP-2027919-A2 Catalyst systems comprising an alkaline earth metal chloride and their application for metathesis reactions Lanxess Deutschland GmbH (DE) 2009-02-25 EP disclosed
EP-1894946-A2 Method for metathesis decomposition of nitrile rubbers Lanxess Deutschland GmbH (DE) 2008-03-05 EP disclosed