SCHEMBL6533464

SCHEMBL6533464

CCC(CC)COc1cccc(CN(CCC(=O)O)Cc2ccc(C)o2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
HDAC4 P56524 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
MEP1B Q16820 1/20 0.38
HDAC3 O15379 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
BCHE P06276 2/20 0.38

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
SCHEMBL6511186 0.86 HDAC3 (0.46) POLBPPARGPPARAHDAC4HDAC1
SCHEMBL6512685 0.86 FFAR1 (0.43) MEP1BBCHE
SCHEMBL6510094 0.83 PPARG (0.39) PPARGPPARAMEP1BBCHE
SCHEMBL6512666 0.80 SLC2A1 (0.46) PPARGPPARA
SCHEMBL6511170 0.80 FFAR1 (0.40) MEP1BBCHE
SCHEMBL6509451 0.80 NR1H3 (0.41) MEP1BBCHE
SCHEMBL6509306 0.79 NR1H3 (0.40) MEP1BBCHE
SCHEMBL6510830 0.78 POLB (0.45) POLBHDAC4HDAC1HDAC6HDAC3
SCHEMBL6513425 0.78 FFAR4 (0.42) POLBPPARGPPARAHDAC4HDAC1
SCHEMBL6515092 0.78 POLB (0.48) POLBHDAC4HDAC1HDAC6HDAC3

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