SCHEMBL956042

SCHEMBL956042

CC(C)(C)c1cc(-c2ccc3cccc(Br)c3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
AR P10275 2/20 0.43
BACE1 P56817 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 1/20 0.33
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 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
SCHEMBL1003882 0.87 HSP90AA1 (0.47) HSP90AA1ARCYP1A2CYP2C9CYP2C19
SCHEMBL12950642 0.86 AR (0.46) HSP90AA1ARBACE1
SCHEMBL954866 0.83 AR (0.41) HSP90AA1ARBACE1
SCHEMBL18890281 0.81 HSP90AA1 (0.56) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL12943752 0.81 HSP90AA1 (0.43) HSP90AA1ARCYP1A2CYP2C9CYP2C19
SCHEMBL1007546 0.78 HSP90AA1 (0.39) HSP90AA1ARCYP1A2CYP2C9CYP2C19
SCHEMBL25667115 0.76 HSP90AA1 (0.43) HSP90AA1MGAMGAASIMGAM2
SCHEMBL19766306 0.75 HSP90AA1 (0.42) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL25667227 0.72 HSP90AA1 (0.40) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL24359601 0.72 HSP90AA1 (0.50) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456793-A1 CATALYSTS BASED ON 2-(2-ARYLOXY) QUINOLINE OR 2-(2-ARYLOXY) DIHYDROQUNIOLINE LIGANDS Equistar Chemicals, LP (US) 2012-05-30 EP disclosed
EP-2456795-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS Equistar Chemicals, LP (US) 2012-05-30 EP disclosed
US-8158733-B2 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP (US) 2012-04-17 US disclosed
US-8158733-B2 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP (US) 2012-04-17 US disclosed
US-8158733-B2 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP (US) 2012-04-17 US disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
WO-2011011039-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
WO-2011011039-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
US-20110021727-A1 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021727-A1 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021727-A1 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
WO-2011011040-A1 CATALYSTS BASED ON 2-(2-ARYLOXY) QUINOLINE OR 2-(2-ARYLOXY) DIHYDROQUNIOLINE LIGANDS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
WO-2011011040-A1 CATALYSTS BASED ON 2-(2-ARYLOXY) QUINOLINE OR 2-(2-ARYLOXY) DIHYDROQUNIOLINE LIGANDS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed