SCHEMBL8029037

SCHEMBL8029037

CCOC(=O)CNC(=O)CCCCCNC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
HDAC6 Q9UBN7 9/20 0.61
HDAC3 O15379 5/20 0.61
HDAC1 Q13547 5/20 0.61
HDAC2 Q92769 5/20 0.61
HDAC4 P56524 4/20 0.61
HDAC7 Q8WUI4 4/20 0.61
HDAC10 Q969S8 4/20 0.61
HDAC11 Q96DB2 4/20 0.61
HDAC8 Q9BY41 4/20 0.61
HDAC9 Q9UKV0 4/20 0.61
HDAC5 Q9UQL6 4/20 0.61
NAAA Q02083 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.52
NCOR2 Q9Y618 1/20 0.51
MAPT P10636 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL8029053 0.91 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8030824 0.88 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8032586 0.88 HDAC6 (0.60) GAAHDAC6HDAC3HDAC1MAPT
SCHEMBL8029010 0.87 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8030789 0.87 NPC1 (0.65) GAAHDAC6HDAC3HDAC1SMN1; SMN2
SCHEMBL8019494 0.85 GAA (0.56) GAAHDAC6HDAC3HDAC1HDAC2
SCHEMBL8029023 0.84 HDAC3 (0.60) GAAHDAC6HDAC3HDAC1HDAC2
SCHEMBL8030811 0.84 GAA (0.61) GAAHDAC6HDAC3HDAC1HDAC2
SCHEMBL5009820 0.83 MAPT (0.62) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8032613 0.83 MEN1 (0.61) GAASMN1; SMN2ALDH1A1MAPTKDM4E

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