SCHEMBL7933583

SCHEMBL7933583

Nc1nc(-c2ccc(O)cc2)co1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.56
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FBP1 P09467 1/20 0.44
USP7 Q93009 2/20 0.42
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
MEN1 O00255 1/20 0.40
NTSR1 P30989 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CG P48736 2/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39

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
SCHEMBL6603647 0.80 LTA4H (0.81) LTA4HALDH1A1POLBMAPTHPGD
SCHEMBL13210267 0.80 ENPP3 (0.63) LTA4HALDH1A1MAPTFBP1ENPP3
SCHEMBL17548467 0.80 LTA4H (0.56) LTA4HALDH1A1POLBMAPTHPGD
SCHEMBL13209803 0.79 LTA4H (0.54) LTA4HALDH1A1MAPTFBP1ENPP3
SCHEMBL8119166 0.79 LTA4H (0.54) LTA4HALDH1A1MAPTHPGDFBP1
SCHEMBL2901258 0.77 LTA4H (0.53) LTA4HMKNK1MKNK2FBP1MEN1
SCHEMBL24415640 0.76 ENPP3 (0.69) HSD17B1HSD17B2ALDH1A1POLBMAPT
SCHEMBL29045675 0.76 LTA4H (0.51) LTA4HADORA2A
SCHEMBL15100543 0.76 ENPP3 (0.65) LTA4HALDH1A1POLBMAPTHPGD
SCHEMBL20391071 0.76 FBP1 (0.41) LTA4HHSD17B1HSD17B2MKNK1MKNK2

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-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed