SCHEMBL667448

SCHEMBL667448

O=CN(CCCCO)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
HDAC2 Q92769 5/20 0.37
HDAC8 Q9BY41 5/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC1 Q13547 3/20 0.37
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL7739753 0.98 CCR6 (0.41) CCR6PAX8LTA4HEPHX2L3MBTL1
SCHEMBL8989023 0.98 CCR6 (0.41) CCR6PAX8LTA4HEPHX2L3MBTL1
SCHEMBL7305614 0.95 LTA4H (0.41) CCR6PAX8LTA4HEPHX2L3MBTL1
SCHEMBL8495462 0.89 CCR6 (0.38) CCR6PAX8LTA4HEPHX2L3MBTL1
SCHEMBL8622951 0.85 ALOX5 (0.48) CCR6PAX8LTA4HL3MBTL1HDAC2
SCHEMBL12762248 0.84 CETP (0.43) EPHX2L3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL6253004 0.84 KCNH2 (0.43)
SCHEMBL9879981 0.84 MAPT (0.49) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL6618522 0.84 MAPT (0.49) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL8988866 0.83 L3MBTL1 (0.37) CCR6PAX8L3MBTL1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9417233-B2 Magnetic beads having surface glycoconjugates and use thereof Life Technologies Corporation (US) 2016-08-16 US disclosed
US-20150197743-A1 MAGNETIC BEADS HAVING SURFACE GLYCOCONJUGATES AND USE THEREOF LIFE TECHNOLOGIES CORP (US) 2015-07-16 US disclosed
US-8945509-B2 Magnetic beads having surface glycoconjugates and use thereof Life Technologies Corporation (US) 2015-02-03 US disclosed
WO-2012024695-A1 MAGNETIC BEADS HAVING SURFACE GLYCOCONJUGATES AND USE THEREOF Life Technologies Corporation (US) 2012-02-23 WO disclosed
US-20120045767-A1 MAGNETIC BEADS HAVING SURFACE GLYCOCONJUGATES AND USE THEREOF Life Technologies Corporation (US) 2012-02-23 US disclosed