Sugi Predict

Sugi Predict / Compounds / SCHEMBL9960019

SCHEMBL9960019

SCHEMBL9960019

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 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
SCHEMBL9960097 0.88 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15649541 0.87 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL2592074 0.83 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15410777 0.83 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL2592076 0.81 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL15423157 0.80 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL21218831 0.78 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15411134 0.78 PDE4B (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL15411135 0.78 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL2592078 0.78 PDE4A (0.31) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563821-B1 CATALYSTS BOREALIS AG (AT) 2019-08-07 — — EP disclosed
EP-2655431-A1 BRIDGED METALLOCENE CATALYSTS Borealis AG (AT) 2013-10-30 — — EP disclosed
WO-2012084961-A1 BRIDGED METALLOCENE CATALYSTS BOREALIS AG (AT) 2012-06-28 — — WO disclosed