SCHEMBL19201302

SCHEMBL19201302

CCCCO[C@]1(C(=O)CO)[C@H](O)C[C@H]2[C@@H]3CCC4=Cc5c(cnn5-c5cccc(OCCCCCCCCCP(=O)(O)O)c5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.73

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
SCHEMBL19201304 0.99 NR3C1 (0.73) NR3C1
SCHEMBL19201625 0.84 NR3C1 (1.00) NR3C1
SCHEMBL22808554 0.84 NR3C1 (1.00) NR3C1
SCHEMBL22808555 0.84 NR3C1 (0.86) NR3C1
SCHEMBL19201315 0.84 NR3C1 (1.00) NR3C1
SCHEMBL20691909 0.83 NR3C1 (0.86) NR3C1
SCHEMBL19201310 0.80 NR3C1 (0.86) NR3C1
SCHEMBL19201614 0.79 NR3C1 (1.00) NR3C1
SCHEMBL19201615 0.79 NR3C1 (1.00) NR3C1
SCHEMBL19201305 0.79 NR3C1 (1.00) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017132103-A2 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-03 — — WO disclosed
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