SCHEMBL31635263

SCHEMBL31635263

O=C(CCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCC(=O)NO)cc1)NO

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.83
HDAC6 Q9UBN7 17/20 0.83
HDAC2 Q92769 16/20 0.83
HDAC3 O15379 15/20 0.83
HDAC11 Q96DB2 14/20 0.83
HDAC8 Q9BY41 14/20 0.83
HDAC10 Q969S8 13/20 0.83
NCOR2 Q9Y618 3/20 0.83
HDAC4 P56524 12/20 0.82
HDAC7 Q8WUI4 12/20 0.82
HDAC9 Q9UKV0 12/20 0.82
HDAC5 Q9UQL6 12/20 0.82
KDM4E B2RXH2 1/20 0.82
BRD4 O60885 1/20 0.82
NCOR1 O75376 1/20 0.82
NR1I2 O75469 1/20 0.82
EGFR P00533 1/20 0.82
CYP3A4 P08684 1/20 0.82
LTA4H P09960 1/20 0.82
NR0B1 P51843 1/20 0.82

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
SCHEMBL15480417 0.93 HDAC1 (0.73) HDAC1HDAC6HDAC2HDAC3HDAC11
SCHEMBL19605450 0.91 HDAC1 (0.76) HDAC1HDAC6HDAC2HDAC3HDAC11
SCHEMBL19605418 0.91 HDAC1 (0.76) HDAC1HDAC6HDAC2HDAC3HDAC11
SCHEMBL8363203 0.91 HDAC1 (0.71) HDAC1HDAC6HDAC2HDAC3HDAC11
SCHEMBL13524769 0.91 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC11
SCHEMBL23054846 0.91 HDAC1 (0.71) HDAC1HDAC6HDAC2HDAC3HDAC11
SCHEMBL11939633 0.91 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC11
SCHEMBL8261596 0.90 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC11
Vorinostat SCHEMBL9018 0.90 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC11
SCHEMBL23055010 0.90 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC11

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-4574212-A1 HISTONE DEACETYLASE INHIBITORS Centre National de la Recherche Scientifique (FR) 2025-06-25 EP disclosed