SCHEMBL69680

SCHEMBL69680

O=C(O)c1cccc(C(=O)On2nnc3ccccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.63
HDAC4 P56524 5/20 0.63
HDAC1 Q13547 5/20 0.63
HDAC7 Q8WUI4 5/20 0.63
HDAC2 Q92769 5/20 0.63
HDAC10 Q969S8 5/20 0.63
HDAC11 Q96DB2 5/20 0.63
HDAC8 Q9BY41 5/20 0.63
HDAC6 Q9UBN7 5/20 0.63
HDAC9 Q9UKV0 5/20 0.63
HDAC5 Q9UQL6 5/20 0.63
SIRT2 Q8IXJ6 4/20 0.61
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
MGAM O43451 3/20 0.48
AMY1A P0DUB6 3/20 0.48
GAA P10253 3/20 0.48
SI P14410 3/20 0.48
MGAM2 Q2M2H8 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL69679 0.94 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1779820 0.89 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12430571 0.87 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10318950 0.86 HDAC8 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31307068 0.81 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7413562 0.81 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5741848 0.80 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7320936 0.79 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8641265 0.78 SIRT2 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2298574 0.78 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed