SCHEMBL8019494

SCHEMBL8019494

CCOC(=O)CNC(=O)CCCCCNC(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
HDAC3 O15379 5/20 0.55
HDAC1 Q13547 5/20 0.55
MAPT P10636 2/20 0.49
NAMPT P43490 1/20 0.49
CA2 P00918 1/20 0.49
HDAC6 Q9UBN7 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45

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
SCHEMBL8032586 0.85 HDAC6 (0.60) GAAHDAC3HDAC1MAPTHDAC6
SCHEMBL8029037 0.85 GAA (0.62) GAAHDAC3HDAC1MAPTHDAC6
SCHEMBL8030789 0.84 NPC1 (0.65) GAAHDAC3HDAC1MAPTHDAC6
SCHEMBL8029023 0.78 HDAC3 (0.60) GAAHDAC3HDAC1NAMPTHDAC6
SCHEMBL27291920 0.76 CA2 (0.74) HDAC3HDAC1MAPTNAMPTCA2
SCHEMBL8029053 0.76 HDAC6 (0.63) HDAC3HDAC1MAPTNAMPTHDAC6
SCHEMBL9913956 0.74 HPGD (0.68) MAPTNAMPTCA2SMN1; SMN2MEN1
SCHEMBL8034875 0.74 ALDH1A1 (0.61) GAAHDAC3HDAC1SMN1; SMN2MEN1
SCHEMBL9120155 0.74 NAMPT (0.60) HDAC3HDAC1NAMPTCA2ALDH1A1
SCHEMBL8030824 0.73 HDAC6 (0.66) HDAC3HDAC1HDAC6SMN1; SMN2HDAC2

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
EP-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed
US-5847092-A Erythromycin A 9-0 oxime derivatives endowed with antibiotic activity ZAMBON GROUP S.P.A. (IT) 1998-12-08 US disclosed