SCHEMBL7744026

SCHEMBL7744026

Nc1ccccc1O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ADRA2B P18089 1/20 0.33
PTGS1 P23219 1/20 0.33
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RECQL P46063 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30

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
SCHEMBL8346779 1.00 ALDH1A1 (0.33) ALDH1A1TDP1ADRA2BPTGS1LMNA
SCHEMBL8520275 1.00 ALDH1A1 (0.33) ALDH1A1TDP1ADRA2BPTGS1LMNA
SCHEMBL7755252 0.83 EPHX1 (0.32) TDP1LMNAL3MBTL1CYP1A2CYP2C19
SCHEMBL3512233 0.79 LMNA (0.35) ALDH1A1TDP1LMNAL3MBTL1RECQL
SCHEMBL5822045 0.79 LMNA (0.35) ALDH1A1TDP1LMNAL3MBTL1RECQL
SCHEMBL1377219 0.79 LMNA (0.35) ALDH1A1TDP1LMNAL3MBTL1RECQL
SCHEMBL20242766 0.79 RAB9A (0.43) ALDH1A1TDP1LMNAL3MBTL1RECQL
SCHEMBL5664768 0.79 RAB9A (0.43) ALDH1A1TDP1LMNAL3MBTL1RECQL
SCHEMBL9191589 0.78 APP (0.35) ALDH1A1TDP1LMNAL3MBTL1USP2
SCHEMBL7913872 0.78 APP (0.35) ALDH1A1TDP1LMNAL3MBTL1USP2

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-2001000796-A2 GLYCOSYLTRANSFERASES OF HELICOBACTER PYLORI NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2001-01-04 WO disclosed