SCHEMBL12865865

SCHEMBL12865865

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MIF P14174 1/20 0.32
BIRC2 Q13490 1/20 0.30

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
SCHEMBL129773 1.00 ZDHHC7 (0.33) ZDHHC7CA1CA2MIFBIRC2
SCHEMBL11506744 0.98 ZDHHC7 (0.36) ZDHHC7CA1CA2MIF
SCHEMBL23423085 0.90 ZDHHC7 (0.39) ZDHHC7CA1CA2MIFBIRC2
SCHEMBL723741 0.88 MIF (0.31) CA1CA2MIF
SCHEMBL21707116 0.86 CA1 (0.37) ZDHHC7CA1CA2MIF
SCHEMBL30943445 0.86 CPB2 (0.33)
SCHEMBL23794918 0.86 CPB2 (0.33)
SCHEMBL1173908 0.86 CPB2 (0.33)
SCHEMBL21891819 0.85
SCHEMBL23195986 0.84 CPB2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045530-A1 ENZYMATIC CONJUGATION OF BIOACTIVE MOIETIES DSM IP ASSETS B.V. (NL) 2011-02-24 US disclosed
US-20110045530-A1 ENZYMATIC CONJUGATION OF BIOACTIVE MOIETIES DSM IP ASSETS B.V. (NL) 2011-02-24 US disclosed
WO-2009101178-A1 ENZYMATIC CONJUGATION OF BIOACTIVE MOIETIES DSM IP ASSETS B.V. (NL) 2009-08-20 WO disclosed