SCHEMBL17047828

SCHEMBL17047828

Cc1ccc(-c2nc(CO[C@H](C)c3ccccn3)co2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.36
PPARG P37231 7/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
FFAR1 O14842 2/20 0.33
CASR P41180 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
SCN8A Q9UQD0 1/20 0.32

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
SCHEMBL17047838 1.00 PPARA (0.36) PPARAPPARGS1PR1S1PR3NPC1
SCHEMBL17047913 0.83 ENPP3 (0.45) PPARAPPARGNPC1RAB9AFFAR1
SCHEMBL17047926 0.83 ENPP3 (0.45) PPARAPPARGNPC1RAB9AFFAR1
SCHEMBL17047885 0.81 MAPT (0.41) S1PR1S1PR3NPC1RAB9AFFAR1
SCHEMBL17047964 0.77 MAPT (0.38) S1PR1S1PR3NPC1RAB9AFFAR1
SCHEMBL17047888 0.75 KDM4E (0.37) S1PR1S1PR3NPC1RAB9AFFAR1
SCHEMBL17047917 0.73 ALDH1A1 (0.44) NPC1RAB9AMEN1TP53MAPT
SCHEMBL17047854 0.72 DYRK1A (0.45) NPC1RAB9AMEN1TP53MAPT
SCHEMBL17047881 0.71 SYK (0.45) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL17047867 0.69 S1PR1 (0.37) PPARAPPARGS1PR1S1PR3NPC1

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
WO-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed
WO-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed