SCHEMBL29809222

SCHEMBL29809222

NCC(O)(O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
KDM4E B2RXH2 2/20 0.33
PDE4A P27815 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
SCHEMBL9501106 0.80 LMNA (0.50) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL27610347 0.79 LMNA (0.43) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL27663277 0.79 LMNA (0.43) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL8373989 0.71 LMNA (0.46) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL18285214 0.71 LMNA (0.46) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL7520052 0.71 LMNA (0.46) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL8377780 0.71 LMNA (0.46) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL9326932 0.70 LMNA (0.50) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL9748371 0.70 LMNA (0.50) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL8825280 0.70 LMNA (0.50) LMNAL3MBTL1TDP1USP2SLCO1B1

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-108707140-B Protease C inhibitors 勃林格殷格翰国际有限公司 2022-07-22 CN disclosed