SCHEMBL6508468

SCHEMBL6508468

Cc1cccc(CN(CCC(=O)O)Cc2ccc(C=Cc3ccccc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 4/20 0.47
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
NCOR2 Q9Y618 2/20 0.45
BCHE P06276 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
EGFR P00533 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
PTPN1 P18031 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42

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
SCHEMBL6508462 1.00 MEP1B (0.47) MEP1BHDAC3HDAC1HDAC2HDAC8
SCHEMBL6507841 0.89 HDAC1 (0.54) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6507843 0.89 HDAC1 (0.54) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6513388 0.88 MEP1B (0.46) MEP1BHDAC3HDAC1HDAC2HDAC8
SCHEMBL6511915 0.84 HTT (0.45) MEP1BHDAC3HDAC1HDAC2HDAC8
SCHEMBL6511912 0.84 HTT (0.45) MEP1BHDAC3HDAC1HDAC2HDAC8
SCHEMBL6515378 0.84 FFAR1 (0.52) MEP1B
SCHEMBL6512357 0.83 TAS2R14 (0.43) MEP1BHDAC3HDAC1HDAC2HDAC8
SCHEMBL6512683 0.81 MEP1B (0.46) MEP1BTAS2R14EGFRNR1H4L3MBTL1
SCHEMBL6510768 0.80 ALDH1A1 (0.43) MEP1BHDAC3HDAC1HDAC2HDAC8

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