SCHEMBL15876012

SCHEMBL15876012

CCCCC(C(=O)O)N(N=[N+]=[N-])C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 14/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSS P25774 1/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2595589 1.00 CA2 (0.35) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL19714607 0.87 CPB2 (0.35) MEN1GAAKMT2A
SCHEMBL16447368 0.86
SCHEMBL15880920 0.80
SCHEMBL31349728 0.79
SCHEMBL15880919 0.79
SCHEMBL29696200 0.76 CA2 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL66398 0.76 CA2 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL7761798 0.76 CA2 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL66399 0.76 CA2 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014111545-A1 COMPOUNDS FOR FUNCTIONALIZING BIOMATERIALS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-07-24 WO disclosed
EP-2757098-A1 Compounds for Functionalizing Biomaterials Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2014-07-23 EP disclosed