SCHEMBL2513007

SCHEMBL2513007

CC(C)C1=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc2C1[Zr](Cl)(Cl)(C1C(C(C)C)=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc21)[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
S1PR5 Q9H228 1/20 0.34
APP P05067 1/20 0.33
PTGS2 P35354 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
SCHEMBL2513992 0.95 S1PR1 (0.33) S1PR1S1PR5APPPTGS2
SCHEMBL4479026 0.93 S1PR1 (0.31) S1PR1S1PR5
SCHEMBL4461030 0.92 APP (0.32) S1PR1S1PR5APP
SCHEMBL4460526 0.90 APP (0.32) APP
SCHEMBL1023781 0.89 S1PR1 (0.32) S1PR1S1PR5
SCHEMBL4479930 0.89 CYP3A4 (0.33) S1PR1S1PR5
SCHEMBL4481043 0.88 CYP3A4 (0.30)
SCHEMBL4465221 0.87
SCHEMBL1024288 0.87 S1PR1 (0.33) S1PR1S1PR5APP
SCHEMBL4464839 0.87

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
US-8034886-B2 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts TICONA GMBH (DE) 2011-10-11 US disclosed
US-20100056737-A1 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2010-03-04 US disclosed
US-7598329-B2 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts TICONA GMBH (DE) 2009-10-06 US disclosed
US-20070105712-A1 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2007-05-10 US disclosed