SCHEMBL8901023

SCHEMBL8901023

Nc1ccc(Oc2ccc(Cl)cc2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 4/20 0.52
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
GAA P10253 3/20 0.50
CYP1A2 P05177 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2D6 P10635 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PDE7A Q13946 1/20 0.48
CYP3A4 P08684 3/20 0.46
THRB P10828 2/20 0.46

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
SCHEMBL4759903 0.90 ALDH1A1 (0.52) PNLIPMAPTALDH1A1POLBKDM4E
SCHEMBL30024982 0.90 ALDH1A1 (0.52) PNLIPMAPTALDH1A1POLBKDM4E
SCHEMBL11577659 0.87 GAA (0.54) PNLIPMAPTALDH1A1POLBKDM4E
SCHEMBL2748501 0.85 CTNNB1 (0.54) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL9097722 0.84 PNLIP (0.52) PNLIPMAPTALDH1A1POLBKDM4E
SCHEMBL711924 0.83 KDM4E (0.59) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL8902333 0.82 PARP10 (0.50) PNLIPMAPTALDH1A1POLBKDM4E
SCHEMBL20945312 0.81 KDM4E (0.65) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL22891351 0.79 CYP1A2 (0.57) ALDH1A1POLBKDM4EHPGDCYP2C9
SCHEMBL4448975 0.78 PTGER4 (0.62) ALDH1A1POLBKDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1043349-C New sulfuric acid esters of sugar alcohols HOFFMANN LA ROCHE (CH) 1999-05-12 CN disclosed
EP-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 US disclosed
CN-1109889-A New sulfuric acid esters of sugar alcohols HOFFMANN LA ROCHE (CH) 1995-10-11 CN disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed