SCHEMBL19230446

SCHEMBL19230446

CC(=O)[C@H](COC(C)(C)C)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33

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
SCHEMBL19230437 1.00 MAPK1 (0.41) MAPK1GRNSORT1
SCHEMBL25847823 0.80 MAPK1 (0.43) MAPK1
SCHEMBL19546493 0.76 CHRNB2 (0.32) —
SCHEMBL16743930 0.71 MAPK1 (0.52) MAPK1GRNSORT1
SCHEMBL20849990 0.71 MAPK1 (0.38) MAPK1
SCHEMBL16450873 0.70 MAPK1 (0.44) MAPK1GRNSORT1
SCHEMBL16450884 0.70 MAPK1 (0.44) MAPK1GRNSORT1
SCHEMBL25847069 0.69 MAPK1 (0.41) MAPK1
SCHEMBL29400845 0.68 MMP13 (0.38) MAPK1GRNSORT1
SCHEMBL29233850 0.68 MMP13 (0.38) 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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