SCHEMBL6509298

SCHEMBL6509298

Cc1ccc(CN(CCC(=O)O)Cc2cccc(Sc3ccccc3)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HDAC3 O15379 9/20 0.40
HDAC4 P56524 9/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC7 Q8WUI4 9/20 0.40
HDAC2 Q92769 9/20 0.40
HDAC10 Q969S8 9/20 0.40
HDAC11 Q96DB2 9/20 0.40
HDAC8 Q9BY41 9/20 0.40
HDAC6 Q9UBN7 9/20 0.40
HDAC9 Q9UKV0 9/20 0.40
HDAC5 Q9UQL6 9/20 0.40
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.37
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6510578 0.90 POLB (0.45) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6510830 0.85 POLB (0.45) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6510768 0.84 ALDH1A1 (0.43) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL6533581 0.84 POLB (0.38) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6511861 0.82 CA12 (0.45) POLBHDAC1HDAC6MAPK1ALDH1A1
SCHEMBL6508460 0.81 HTR2C (0.36) HDAC3HDAC1HDAC2HDAC8MAPT
SCHEMBL6515092 0.80 POLB (0.48) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6510328 0.80 HTR2C (0.37) HDAC3HDAC1HDAC2HDAC8MAPT
SCHEMBL6511885 0.80 POLB (0.47) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6518329 0.79 NPC1 (0.39) HDAC3HDAC1HDAC2HDAC8MAPK1

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