SCHEMBL13622615

SCHEMBL13622615

C#CCOC[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSK P43235 11/20 0.42
CTSS P25774 7/20 0.41
CYP2D6 P10635 1/20 0.40
CTSL P07711 3/20 0.40
CTSB P07858 2/20 0.40
KMT2A Q03164 1/20 0.36
PPARA Q07869 1/20 0.35

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
SCHEMBL19361663 1.00 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL25315586 1.00 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL23743602 0.86 CTSK (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL19084258 0.85 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL31510003 0.82 AAK1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL25755528 0.82 PPARA (0.53) CTSKCTSSCTSLCTSBPPARA
SCHEMBL25755539 0.82 CTSK (0.40) CA1CA2CA7CTSKCTSS
SCHEMBL12265061 0.82 PPARA (0.53) CTSKCTSSCTSLCTSBPPARA
SCHEMBL22506799 0.82 PPARA (0.53) CTSKCTSSCTSLCTSBPPARA
SCHEMBL23743600 0.81 CTSK (0.40) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268607-B9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-05-13 EP disclosed
EP-2268607-B1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-02-18 EP disclosed
WO-2009113828-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2009-11-05 WO disclosed
WO-2009113828-A2 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2009-09-17 WO disclosed