SCHEMBL24329076

SCHEMBL24329076

Cn1c(O)c(C(=O)/C=C/C2CCCCC2)c(=O)n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 4/20 0.44
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12374705 0.78 PADI4 (0.45) PADI4ALDH1A1GAA
SCHEMBL12374646 0.78 PADI4 (0.44) PADI4ALDH1A1GAATSHR
SCHEMBL12374649 0.76 PADI4 (0.45) PADI4MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL12374651 0.71 PADI4 (0.65) PADI4MAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL13403201 0.70 PADI4 (0.39) PADI4MAPTALDH1A1SMN1; SMN2USP2
SCHEMBL29564267 0.69 PADI4 (0.33) PADI4
SCHEMBL9132150 0.68 PADI4 (0.34) PADI4
SCHEMBL29564507 0.68 MAPT (0.60) PADI4MAPTHSD17B10LMNAALDH1A1
SCHEMBL9132144 0.68 PADI4 (0.34) PADI4
SCHEMBL24329142 0.67 SLC5A1 (0.54) PADI4MAPTHSD17B10LMNAALDH1A1

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-2022080346-A1 NOVEL NITROGEN-CONTAINING CYCLIC COMPOUND AND APPLICATION THEREOF 国立大学法人佐賀大学 2022-04-21 WO disclosed