SCHEMBL5012785

SCHEMBL5012785

COC(=O)C1C(O)=CC=CC1(O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5622135 0.62
SCHEMBL29275518 0.60 DNTT (0.37) DNTTPOLBPOLA1ALDH1A1
SCHEMBL16066298 0.58 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5693612 0.58
SCHEMBL718211 0.57
SCHEMBL31534656 0.56 DNTT (0.51) DNTTPOLBPOLA1ALDH1A1
SCHEMBL16498749 0.54
SCHEMBL6752183 0.54 MEN1 (0.30)
SCHEMBL11133104 0.53 GAA (0.36) ALDH1A1
SCHEMBL8646012 0.53

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
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO disclosed