SCHEMBL10089366

SCHEMBL10089366

CC(C)(C)c1cc(COc2ccccc2OCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 5/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
RECQL P46063 1/20 0.31
GLA P06280 1/20 0.31
PTGER1 P34995 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
SCHEMBL13701501 0.88
SCHEMBL10089382 0.86 PPARG (0.36) PPARGCYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL5035121 0.84 CYP2D6 (0.38) PPARGCYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL10089351 0.84 PPARG (0.35) PPARGCYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL14702256 0.82 CYP2C19 (0.38) PPARGCYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL10089353 0.79 CYP2D6 (0.34) PPARGCYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL10089385 0.78 CYP2D6 (0.33) PPARGCYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL13044411 0.78 PTGDR2 (0.36) PPARGLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13376100 0.78 CYP2C19 (0.40) PPARGCYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL10089386 0.77 LMNA (0.33) PPARGCYP2C19CYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383753-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-02-26 US disclosed
US-8383753-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-02-26 US disclosed
US-20120029159-A1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-02 US disclosed
US-20120029159-A1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-02 US disclosed
US-8071701-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-06 US disclosed
US-8071701-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-06 US disclosed