SCHEMBL11323280

SCHEMBL11323280

CN1C(=O)CC(C)(C)c2cc(C(=O)CCC(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
RXRA P19793 3/20 0.45
RARA P10276 3/20 0.42
RARB P10826 3/20 0.42
RARG P13631 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL12467612 0.85 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6746180 0.85 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL9593493 0.84 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6770006 0.81 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL11318229 0.80 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL11319049 0.78 SMYD3 (0.51) HDAC1HDAC2KMT2APKMTSHR
SCHEMBL12465787 0.76 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL9592333 0.75 RARA (0.59) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6770058 0.73 HDAC3 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6770057 0.73 HDAC3 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC2

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
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 US disclosed