SCHEMBL7913872

SCHEMBL7913872

Nc1ccc(O[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 6/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.31
PARP10 Q53GL7 1/20 0.31
PDE4A P27815 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
SCHEMBL9191589 1.00 APP (0.35) APPLMNAL3MBTL1TDP1MAPK1
SCHEMBL8593832 0.88 LMNA (0.34) LMNAL3MBTL1TDP1PDE4A
SCHEMBL1377219 0.86 LMNA (0.35) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL5822045 0.86 LMNA (0.35) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL3512233 0.86 LMNA (0.35) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL9189452 0.84 APP (0.35) APPLMNAL3MBTL1TDP1MAPK1
SCHEMBL707743 0.81 MEN1 (0.42) LMNATDP1ALDH1A1CYP3A4TSHR
SCHEMBL8603750 0.81 MEN1 (0.42) LMNATDP1ALDH1A1CYP3A4TSHR
SCHEMBL9634744 0.81 MEN1 (0.42) LMNATDP1ALDH1A1CYP3A4TSHR
SCHEMBL1582160 0.81 MEN1 (0.42) LMNATDP1ALDH1A1CYP3A4TSHR

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
US-6218112-B1 SCREENING PEPTIDES FOR ABILITY TO TRANSFECT CELLS WITH NUCLEIC ACID BY DETECTING CHANGE IN SURFACE PLASMON RESONANCE CAUSED BY BINDING/DISSOCIATION OF PEPTIDE TO NUCLEIC ACID IMMOBILIZED ON SENSOR CHIP, CALCULATING EQUILIBRIUM CONSTANT COBRA THERAPEUTICS LIMITED (GB) 2001-04-17 US disclosed
WO-1989004672-A1 DERIVATIVES OF LINCOSAMINIDE ANTIBIOTICS THE UPJOHN COMPANY (US) 1989-06-01 WO disclosed