SCHEMBL12487487

SCHEMBL12487487

O=CN(CCCC(=O)F)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.36
PAX8 Q06710 1/20 0.36
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL2906610 0.88 HDAC3 (0.46) CCR6PAX8LTA4HALDH1A1HDAC1
SCHEMBL8622951 0.84 ALOX5 (0.48) CCR6PAX8LTA4HL3MBTL1HDAC1
SCHEMBL6618522 0.83 MAPT (0.49) CCR6PAX8L3MBTL1HDAC1HDAC2
SCHEMBL9879981 0.83 MAPT (0.49) CCR6PAX8L3MBTL1HDAC1HDAC2
SCHEMBL6951407 0.82 HTT (0.44) CCR6PAX8LTA4HALDH1A1HCAR2
SCHEMBL7305614 0.82 LTA4H (0.41) CCR6PAX8LTA4HALDH1A1L3MBTL1
SCHEMBL667448 0.81 CCR6 (0.42) CCR6PAX8LTA4HALDH1A1L3MBTL1
SCHEMBL6253004 0.80 KCNH2 (0.43) SLC6A2SLC6A3ALOX5
SCHEMBL7739753 0.79 CCR6 (0.41) CCR6PAX8LTA4HALDH1A1L3MBTL1
SCHEMBL8989023 0.79 CCR6 (0.41) CCR6PAX8LTA4HALDH1A1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684039-A2 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-01-15 EP disclosed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed