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Sugi Predict / Compounds / SCHEMBL15411135

SCHEMBL15411135

SCHEMBL15411135

COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(CC(C)(C)C)C2[Zr](=[SiH2])(Cl)(Cl)C1C(CC(C)(C)C)=Cc2c1cc(C(C)(C)C)c(OC)c2-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL21218831 0.92 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL2592078 0.91 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL2592076 0.88 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15411134 0.81 PDE4B (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL15423157 0.81 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL15345283 0.80 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL21433891 0.79 — —
Hydrochloric Acid SCHEMBL15345341 0.79 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL9960019 0.78 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15410777 0.78 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D

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
US-9079985-B2 Bridged metallocene catalysts BOREALIS AG (AT) 2015-07-14 — — US disclosed
US-20140018506-A1 BRIDGED METALLOCENE CATALYSTS BOREALIS AG (AT) 2014-01-16 — — US disclosed