SCHEMBL6682025

SCHEMBL6682025

Brc1c(OCc2ccccc2)cc2c(c1OCc1ccccc1)CC(OC1CCCCO1)C(c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)O2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ C5AR1 P21730 2/20 0.31
▸ HSP90AB1 P08238 2/20 0.30
▸ APP P05067 2/20 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
SCHEMBL8217017 0.86 CCR5 (0.37) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL6671389 0.80 BACE1 (0.40) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL5268319 0.69 PDE4A (0.38) STING1CCR5PDE4APDE4BPDE4C
SCHEMBL18427309 0.68 STING1 (0.46) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL5267159 0.68 STING1 (0.46) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL18427349 0.68 STING1 (0.46) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL9778645 0.68 PDE4A (0.44) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL16016989 0.68 PDE4A (0.42) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL17358246 0.68 STING1 (0.42) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL17358236 0.68 STING1 (0.42) STING1PDE4APDE4BPDE4CPDE4D

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-1169304-B1 8-8, 6-6 AND 6-8 CATECHIN AND EPICATECHIN DIMERS AND METHODS FOR THEIR PREPARATION MARS INC (US) 2004-09-29 — — EP disclosed
US-6156912-A 88, 66, and 68 catechin and epicatechin dimers and methods for their preparation MARS, INCORPORATED (US) 2000-12-05 — — US disclosed
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