SCHEMBL4726972

SCHEMBL4726972

NO[C@@H]([C@H](O)[C@H](C=O)ON)[C@H](O)CO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 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
SCHEMBL122818 0.86 LMNA (0.42) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL640184 0.86 LMNA (0.42) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL11424155 0.86 LMNA (0.42) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL2115466 0.85 LMNA (0.37) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL1267825 0.85 LMNA (0.37) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL3073599 0.84 LMNA (0.46) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL517269 0.84 LMNA (0.46) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL319408 0.84 LMNA (0.46) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL2635052 0.84 LMNA (0.46) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL2635114 0.82 AKR1B1 (0.34) AKR1B1LMNAL3MBTL1TDP1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011168-A2 GLYCOSYLATED PEPTIDE ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR AMGEN INC. (US) 2008-01-24 WO claimed
WO-2008011168-A2 GLYCOSYLATED PEPTIDE ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR AMGEN INC. (US) 2008-01-24 WO disclosed