SCHEMBL19230492

SCHEMBL19230492

CN[C@H](COC(C)(C)C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ GRN P28799 1/20 0.40
▸ SORT1 Q99523 1/20 0.40

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
SCHEMBL19230491 1.00 MAPK1 (0.41) MAPK1GRNSORT1
SCHEMBL13711068 0.86 MAPK1 (0.40) MAPK1GRNSORT1
SCHEMBL13711120 0.86 MAPK1 (0.40) MAPK1GRNSORT1
SCHEMBL1693987 0.83 GRN (0.50) MAPK1GRNSORT1
SCHEMBL1693084 0.83 GRN (0.50) MAPK1GRNSORT1
SCHEMBL28528204 0.83 MAPK1 (0.41) MAPK1GRNSORT1
SCHEMBL5048325 0.83 GRN (0.50) MAPK1GRNSORT1
SCHEMBL1361481 0.83 MAPK1 (0.41) MAPK1GRNSORT1
Hydrochloric Acid SCHEMBL2490304 0.82 GRN (0.49) MAPK1GRNSORT1
SCHEMBL12661117 0.79 GRN (0.40) MAPK1GRNSORT1

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-2017136708-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-10 — — WO disclosed
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