SCHEMBL1007546

SCHEMBL1007546

Cc1cccc(C)c1Nc1cccc2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
AR P10275 4/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KDR P35968 1/20 0.33
PTGS2 P35354 1/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL1005516 0.90 PTGS2 (0.33) HSP90AA1PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL936383 0.87 GABRA1 (0.42) ARGABRA1GABRB2KDRPTGS2
SCHEMBL936384 0.85 AR (0.34) HSP90AA1ARKDRTP53PIM1
SCHEMBL1003882 0.81 HSP90AA1 (0.47) HSP90AA1ARGABRA1GABRB2PTGS2
SCHEMBL1005514 0.79
SCHEMBL956042 0.78 HSP90AA1 (0.45) HSP90AA1ARPTGS2CYP1A2CYP3A4
SCHEMBL12943752 0.77 HSP90AA1 (0.43) HSP90AA1ARGABRA1GABRB2CYP1A2
SCHEMBL18890281 0.75 HSP90AA1 (0.56) HSP90AA1GABRA1GABRB2PTGS2CYP1A2
SCHEMBL989648 0.72 AR (0.46) ARKDRTP53CYP1A2CYP3A4
SCHEMBL12950642 0.68 AR (0.46) HSP90AA1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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