SCHEMBL627359

SCHEMBL627359

COC(=O)N[C@H](C(=O)O)C(C)(C)OC.COC(C)(C)[C@H](N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL1985522 0.89 MEN1 (0.33)
SCHEMBL204757 0.89 MEN1 (0.33)
SCHEMBL1146978 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1
SCHEMBL1146980 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1
SCHEMBL16070089 0.81 MEN1 (0.42)
SCHEMBL1982287 0.77 MEN1 (0.45)
SCHEMBL2533499 0.77 MEN1 (0.45)
SCHEMBL206181 0.77 MEN1 (0.45)
SCHEMBL9829512 0.75 ATM (0.38) MAPT
SCHEMBL9829508 0.75 ATM (0.38) MAPT

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
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed