SCHEMBL5041727

SCHEMBL5041727

CCNS(=O)(=O)c1ccc(OC2CCC2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
S1PR3 Q99500 1/20 0.41
FABP4 P15090 2/20 0.41
FABP5 Q01469 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
APEX1 P27695 1/20 0.41
TSHR P16473 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL5037704 0.90 KAT2B (0.46) MAPK1L3MBTL1ALDH1A1KMT2APDE4A
SCHEMBL5045483 0.86 FABP4 (0.43) MAPK1L3MBTL1KMT2AFABP4FABP5
SCHEMBL2825503 0.84 FABP4 (0.45) MAPK1L3MBTL1ALDH1A1FABP4FABP5
SCHEMBL2824807 0.82 SLC6A9 (0.51) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL5043148 0.81 MAPK1 (0.49) MAPK1L3MBTL1ALDH1A1LMNARAB9A
SCHEMBL11460936 0.81 MAPK1 (0.69) MAPK1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL1811462 0.80 SLC6A9 (0.51) KMT2ALMNAFABP4FABP5PDE4A
SCHEMBL2826409 0.79 SLC6A9 (0.52) KMT2ALMNAFABP4FABP5PDE4A
SCHEMBL5037977 0.79 APEX1 (0.42) FABP4FABP5PDE4APDE4BPDE4C
SCHEMBL5041669 0.76 KAT2B (0.52) MAPK1PDE4APDE4BPDE4CPDE4D

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-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed