SCHEMBL30734124

SCHEMBL30734124

CCCCOc1ccc(-c2cccc(-c3ccc(OCCCC)cc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3[O-])n2)c(-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)c2[O-])c1.C[Zr+2]C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.33
FAAH O00519 2/20 0.33
PPARG P37231 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
HIF1A Q16665 1/20 0.30
CNR2 P34972 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
SCHEMBL30734113 0.89 PDK2 (0.33) PDK2FAAH
SCHEMBL30734126 0.87 PDK2 (0.36) PDK2FAAHPPARGCNR2
SCHEMBL30734116 0.86 PDK2 (0.36) PDK2FAAHPPARGHRH3CTSD
SCHEMBL26635422 0.86 PDK2 (0.36) PDK2FAAHPPARGHRH3CTSD
SCHEMBL29396113 0.83 CNR2 (0.32) CNR2
SCHEMBL29394228 0.82 CNR2 (0.35) CNR2
SCHEMBL30619632 0.77
SCHEMBL29435404 0.77 KDM4E (0.32)
SCHEMBL29396595 0.76 KDM4E (0.33) CNR2
SCHEMBL30734122 0.75 PDK2 (0.37) PDK2FAAHPPARGCTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519332-A1 SUBSTITUTED PYRIDINE-2,6-BIS (PHENYLENEPHENOLATE) COMPLEXES WITH ENHANCED SOLUBILITY THAT ARE USEFUL AS CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2025-03-12 EP disclosed
WO-2023215695-A1 SUBSTITUTED PYRIDINE-2,6-BIS (PHENYLENEPHENOLATE) COMPLEXES WITH ENHANCED SOLUBILITY THAT ARE USEFUL AS CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-11-09 WO disclosed