SCHEMBL31086367

SCHEMBL31086367

CCOC(=O)CC(=O)Cc1ccnc(-c2ccc(Oc3ncc(Cl)cc3F)c(F)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
LTA4H P09960 4/20 0.34
SCN9A Q15858 4/20 0.34
KCNH2 Q12809 3/20 0.34
SYK P43405 1/20 0.34
MAPT P10636 2/20 0.33
ACACB O00763 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SHMT1 P34896 1/20 0.33

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
SCHEMBL29255373 1.00 NCOA1 (0.35) NCOA1NCOA3S1PR1S1PR3KCNQ3
SCHEMBL29255096 0.90 LTA4H (0.44) S1PR1S1PR3LTA4HKCNH2PPARG
SCHEMBL31086430 0.90 LTA4H (0.44) S1PR1S1PR3LTA4HKCNH2PPARG
SCHEMBL29255261 0.87 SCN9A (0.39) LTA4HSCN9AKCNH2MAPTACACB
SCHEMBL31086532 0.85 LTA4H (0.42) LTA4HSCN9AKCNH2GAAKDM4E
SCHEMBL29254800 0.85 LTA4H (0.42) LTA4HSCN9AKCNH2GAAKDM4E
SCHEMBL29254835 0.84 LTA4H (0.41) S1PR1S1PR3LTA4HSCN9AKCNH2
SCHEMBL31086470 0.84 PPARG (0.39) S1PR1S1PR3LTA4HSCN9AKCNH2
SCHEMBL29255220 0.84 PPARG (0.39) S1PR1S1PR3LTA4HSCN9AKCNH2
SCHEMBL29254708 0.83 PPARG (0.38) S1PR1S1PR3LTA4HSCN9AKCNH2

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
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed