SCHEMBL7045988

SCHEMBL7045988

COC(=O)[C@@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
KMT2A Q03164 3/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.40
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ALOX15 P16050 1/20 0.37
KYNU Q16719 1/20 0.36
PSMB5 P28074 1/20 0.36
ABCB1 P08183 1/20 0.36
ATM Q13315 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
SCHEMBL10740109 0.79 LTA4H (0.45) LTA4HKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL10509257 0.79 LTA4H (0.45) LTA4HKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL10511562 0.79 LTA4H (0.45) LTA4HKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL10511795 0.79 LTA4H (0.45) LTA4HKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL14659486 0.77 SLC1A1 (0.44) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10791989 0.75 LTA4H (0.52) LTA4HKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL4011033 0.74 KMT2A (0.53) LTA4HKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL2000458 0.74 KMT2A (0.53) LTA4HKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL9801009 0.74 LTA4H (0.45) LTA4HKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7415448 0.73 KMT2A (0.43) LTA4HKMT2ASLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933378-B1 Quinolinone glycoside, production process, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2003-04-09 EP disclosed
US-6242425-B1 SINAPIC ACID GLYCOSIDE INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-0933378-A1 Quinolinone glycoside, production process, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-04 EP disclosed