SCHEMBL28604341

SCHEMBL28604341

O=C(O)C1CCC(CN[SH](=O)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
ANPEP P15144 2/20 0.35
ENPEP Q07075 1/20 0.35
ACE P12821 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
VCP P55072 2/20 0.33
TDP1 Q9NUW8 1/20 0.31
GABRR1 P24046 1/20 0.31

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
SCHEMBL28917265 0.82 PLG (0.40) PLGPLATLMNAANPEPENPEP
SCHEMBL14972795 0.75
SCHEMBL2340454 0.74 PLG (0.42) PLGPLATLMNAANPEPENPEP
SCHEMBL22571032 0.74 PLG (0.42) PLGPLATLMNAANPEPENPEP
SCHEMBL2340457 0.74 PLG (0.42) PLGPLATLMNAANPEPENPEP
SCHEMBL2340458 0.74 PLG (0.42) PLGPLATLMNAANPEPENPEP
SCHEMBL27889792 0.73 KMT2A (0.46) PLGPLATLMNAANPEPENPEP
SCHEMBL19227668 0.73 LMNA (0.41) PLGPLATLMNAANPEPENPEP
SCHEMBL13537167 0.71 PLG (0.40) PLGPLATLMNAANPEPENPEP
SCHEMBL7683514 0.71 TDP1 (0.46) PLGPLATLMNAANPEPENPEP

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-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed