SCHEMBL5037704

SCHEMBL5037704

CCNS(=O)(=O)c1ccc(OC2CCOCC2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.46
BAZ2B Q9UIF8 1/20 0.46
MAPK1 P28482 1/20 0.46
IDH2 P48735 1/20 0.45
KMT2A Q03164 1/20 0.43
PDE4D Q08499 5/20 0.43
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
SYK P43405 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SLC6A9 P48067 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5041727 0.90 MAPK1 (0.48) MAPK1KMT2APDE4DPDE4APDE4B
SCHEMBL5041669 0.87 KAT2B (0.52) KAT2BBAZ2BMAPK1IDH2PDE4D
SCHEMBL4424161 0.83 SLC6A9 (0.53) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL5043148 0.78 MAPK1 (0.49) MAPK1IDH2SYKALDH1A1L3MBTL1
SCHEMBL11460936 0.78 MAPK1 (0.69) MAPK1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL15144072 0.77 BRD4 (0.49) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL5045483 0.76 FABP4 (0.43) MAPK1KMT2APDE4DPDE4APDE4B
SCHEMBL2825503 0.76 FABP4 (0.45) MAPK1PDE4DPDE4APDE4BPDE4C
SCHEMBL3931172 0.74 SMN1; SMN2 (0.65) KMT2AALDH1A1SLC6A9
SCHEMBL25314851 0.73 KAT2B (0.50) KAT2BBAZ2BKMT2APDE4DPDE4A

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