SCHEMBL586578

SCHEMBL586578

CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1.CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1.[Zr]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL5980727 0.99 NPC1 (0.43) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL29350743 0.99 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL39146 0.99 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL11457333 0.97 NPC1 (0.44) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL27600005 0.97 NPC1 (0.44) NPC1RAB9ALMNAPOLBKDM4E
Phenol SCHEMBL28007822 0.94 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
Toluene SCHEMBL29114791 0.93 NPC1 (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL11907376 0.91 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL4896803 0.90 NPC1 (0.38) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL10154219 0.89 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274341-B1 METHODS FOR PREPARING CATALYST SYSTEMS UNIVATION TECH LLC (US) 2012-02-15 EP disclosed
US-20110034324-A1 Methods for Preparing Catalyst Systems UNIVATION TECHNOLOGIES, LLC (US) 2011-02-10 US disclosed
US-20040254312-A1 Polymerization process MAWSON SIMON (US) 2004-12-16 US disclosed
US-20040162402-A1 Polymerization process MAWSON SIMON (US) 2004-08-19 US disclosed
CN-1481280-A Method for supporting catalyst and polymerization using supported catalyst �������ٶ������������ι�˾ 2004-03-10 CN disclosed
US-20030171513-A1 Polymerization process MAWSON SIMON (US) 2003-09-11 US disclosed
US-20030008980-A1 Continuously combining a catalyst slurry with a catalyst solution to form a catalyst formulation; combining the catalyst with olefin(s) in a polymerization reactor to form a polymer product; measuring sample of polymer; changing UNIVATION TECHNOLOGIES, LLC 2003-01-09 US disclosed
US-20020107342-A1 Combines a catalyst component containing slurry and a catalyst component containing solution to form the completed catalyst composition for introduction into the polymerization reactor; polymerizing olefins UNIVATION TECHNOLOGIES, LLC 2002-08-08 US disclosed