SCHEMBL13844229

SCHEMBL13844229

CC(OC(C)(C)C)C(=O)C(C)(C)C(C)(C)OC(CCCCC(=O)C(C)(C)C)CC(=O)Nc1ccccc1S(=O)(=O)Oc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31

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
SCHEMBL13844190 0.94 POLB (0.34) POLB
SCHEMBL13844188 0.84 POLB (0.38) POLB
SCHEMBL13513634 0.82 POLB (0.34) POLB
SCHEMBL13764286 0.75 POLB (0.36) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13844187 0.73 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14035413 0.73 POLB (0.32) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13768015 0.72 CA1 (0.37) POLB
SCHEMBL13844099 0.72
SCHEMBL13767938 0.71 ALDH1A1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13768301 0.71 KDM4E (0.36) POLBHDAC3HDAC1

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-1758948-B1 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KK (JP) 2009-05-13 EP disclosed