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SCHEMBL6037101

SCHEMBL6037101

COc1cc2c(c(Cl)c1O)Oc1c(cc(OC)c(OC(=O)c3cc(Cl)c4c(c3)C(=O)OC43c4ccc(O)c(Cl)c4Oc4c3cc(Cl)c(O)c4Cl)c1Cl)C21OC(=O)c2ccc(C(=O)O)cc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SMAD3 P84022 1/20 0.32
▸ GNG2 P59768 1/20 0.32
▸ GNB1 P62873 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
SCHEMBL3358989 0.89 MEN1 (0.33) GNG2GNB1
SCHEMBL1738599 0.86 MEN1 (0.33) GNG2GNB1
SCHEMBL3717351 0.81 SMAD3 (0.45) SMAD3GNG2GNB1
SCHEMBL29353753 0.81 MEN1 (0.39) GNG2GNB1
SCHEMBL29838713 0.81 MEN1 (0.39) GNG2GNB1
SCHEMBL16118 0.81 MEN1 (0.39) GNG2GNB1
SCHEMBL6026564 0.80 SMAD3 (0.41) SMAD3GNG2GNB1
SCHEMBL20526344 0.78 SMAD3 (0.41) SMAD3GNG2GNB1
SCHEMBL29831001 0.77 GNG2 (0.40) SMAD3GNG2GNB1
SCHEMBL345532 0.77 GNG2 (0.40) SMAD3GNG2GNB1

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-1718764-A1 A METHOD AND DEVICE FOR USING RAMAN-ACTIVE PROBE CONSTRUCTS TO ASSAY BIOLOGICAL SAMPLES Intel Corporation (US) 2006-11-08 — — EP disclosed
WO-2005066373-A1 A METHODS AND DEVICE FOR USING RAMAN-ACTIVE PROBE CONSTRUCTS TO ASSAY BIOLOGICAL SAMPLES INTEL CORPORATION (US) 2005-07-21 — — WO disclosed