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SCHEMBL16220189

SCHEMBL16220189

CC(C)(C)c1ccc(OP(OCC(COP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)(COP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)COP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ APEX1 P27695 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ATM Q13315 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17193433 0.91 APEX1 (0.36) KDM4ECA1CA2CA9APEX1
SCHEMBL26607 0.85 CA1 (0.41) KDM4ECA1CA2CA9APEX1
SCHEMBL29349873 0.85 CA1 (0.41) KDM4ECA1CA2CA9APEX1
SCHEMBL5608973 0.83 CA1 (0.40) KDM4ECA1CA2CA9APEX1
SCHEMBL31720630 0.83 CA1 (0.40) KDM4ECA1CA2CA9APEX1
Phosphine SCHEMBL7943984 0.83 CA1 (0.40) KDM4ECA1CA2CA9APEX1
SCHEMBL30366575 0.83 CA1 (0.40) KDM4ECA1CA2CA9APEX1
Potassium SCHEMBL31621706 0.83 CA1 (0.40) KDM4ECA1CA2CA9APEX1
SCHEMBL19514039 0.83 CA1 (0.40) KDM4ECA1CA2CA9APEX1
SCHEMBL29616890 0.83 CA1 (0.40) KDM4ECA1CA2CA9APEX1

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
EP-3112373-B1 NOVEL TETRADENTATE PHOSPHORUS LIGAND WITH HOSTANOX O3 GUIDE STRUCTURE EVONIK DEGUSSA GMBH (DE) 2017-08-30 — — EP disclosed
EP-3112373-A1 NOVEL TETRADENTATE PHOSPHORUS LIGAND WITH HOSTANOX O3 GUIDE STRUCTURE Evonik Degussa GmbH (DE) 2017-01-04 — — EP disclosed
EP-2991996-B1 NEW QUADRIDENTATE PHOSPHORUS LIGANDS COMPRISING HOSTANOX O3 CONDUCTIVE STRUCTURE EVONIK DEGUSSA GMBH (DE) 2016-08-24 — — EP disclosed
WO-2014177355-A1 NEW QUADRIDENTATE PHOSPHORUS LIGANDS COMPRISING HOSTANOX O3 CONDUCTIVE STRUCTURE EVONIK INDUSTRIES AG (DE) 2014-11-06 — — WO disclosed