SCHEMBL7040748

SCHEMBL7040748

CC(C)(C)OC(=O)N(Cc1ccc(CNC(N)=O)cc1)[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
F2 P00734 1/20 0.35
ADAM17 P78536 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8120451 0.91 F2 (0.36) CA1CA2F2ADAM17MEN1
SCHEMBL8112864 0.91 F2 (0.36) CA1CA2F2ADAM17MEN1
SCHEMBL8120928 0.90 NR1D1 (0.36) CA1CA2F2ADAM17GAA
SCHEMBL8114819 0.90 F2 (0.35) CA1CA2F2ADAM17MEN1
SCHEMBL8126120 0.88 CA12 (0.36) CA1CA2F2ADAM17MEN1
SCHEMBL8112880 0.85 CA1 (0.34) CA1CA2F2
SCHEMBL8125342 0.84 F2 (0.37) CA1CA2F2ADAM17
SCHEMBL8115107 0.84 F2 (0.33) F2ADAM17
SCHEMBL8112706 0.84 F2 (0.33) F2ADAM17
SCHEMBL8528534 0.83 NPY1R (0.38) CA1CA2F2POLBMEN1

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-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed