SCHEMBL6511186

SCHEMBL6511186

CCCCOc1cccc(CN(CCC(=O)O)Cc2ccc(C)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
HDAC5 Q9UQL6 5/20 0.46
MEP1B Q16820 1/20 0.46
CYP2D6 P10635 5/20 0.45
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
PLA2G4B P0C869 1/20 0.44
ACHE P22303 3/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6533464 0.86 POLB (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6515092 0.85 POLB (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6516580 0.85 CYP2D6 (0.50) MEP1BCYP2D6PPARGPPARAPLA2G4B
SCHEMBL6511885 0.85 POLB (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6511867 0.84 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6512666 0.82 SLC2A1 (0.46) PPARGPPARA
SCHEMBL6509314 0.81 MEP1B (0.46) MEP1BCYP2D6PPARGPPARAPLA2G4B
SCHEMBL6510830 0.80 POLB (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6513425 0.80 FFAR4 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6515031 0.78 MEP1B (0.43) MEP1BCYP2D6PLA2G4B

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed