SCHEMBL29255223

SCHEMBL29255223

COC(=O)Cc1ccnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
LMNA P02545 1/20 0.41
PTGER4 P35408 6/20 0.40
PTGER2 P43116 3/20 0.40
LTA4H P09960 8/20 0.39
KCNH2 Q12809 4/20 0.39
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE10A Q9Y233 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL29254756 0.94 LMNA (0.42) PPARGLMNAPTGER4PTGER2LTA4H
SCHEMBL29255006 0.89 LTA4H (0.44) PPARGLMNAPTGER4PTGER2LTA4H
SCHEMBL31086456 0.89 LTA4H (0.44) PPARGLMNAPTGER4PTGER2LTA4H
SCHEMBL31086470 0.88 PPARG (0.39) PPARGPTGER4PTGER2LTA4HKCNH2
SCHEMBL29255220 0.88 PPARG (0.39) PPARGPTGER4PTGER2LTA4HKCNH2
SCHEMBL29255445 0.83 LTA4H (0.41) PPARGPTGER4PTGER2LTA4HKCNH2
SCHEMBL29254940 0.83 PPARG (0.42) PPARGLMNAPTGER4PTGER2LTA4H
SCHEMBL29255278 0.83 LTA4H (0.43) PPARGLMNAPTGER4PTGER2LTA4H
Hydrochloric Acid SCHEMBL29255051 0.83 LTA4H (0.40) PPARGPTGER4PTGER2LTA4HKCNH2
Hydrochloric Acid SCHEMBL29255053 0.83 LTA4H (0.41) PPARGPTGER4PTGER2LTA4HKCNH2

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