SCHEMBL28119641

SCHEMBL28119641

C=C(OCC1CO1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MGLL Q99685 2/20 0.36

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
SCHEMBL21835616 0.85 ALDH1A1 (0.68) ALDH1A1TP53CYP3A4MGLL
SCHEMBL11703392 0.84 ALDH1A1 (0.66) ALDH1A1TP53CYP3A4MGLL
SCHEMBL29044368 0.84 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28095165 0.82 ALDH1A1 (0.73) ALDH1A1TP53CYP3A4MGLL
SCHEMBL27935742 0.82 ALDH1A1 (0.63) ALDH1A1TP53CYP3A4MGLL
SCHEMBL4338206 0.82 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4MGLL
SCHEMBL908314 0.82 ALDH1A1 (0.86) ALDH1A1TP53CYP3A4MGLL
SCHEMBL502926 0.82 ALDH1A1 (0.86) ALDH1A1TP53CYP3A4MGLL
SCHEMBL29317071 0.81 ALDH1A1 (0.67) ALDH1A1TP53CYP3A4MGLL
SCHEMBL23451351 0.81 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLL

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
CN-106459566-A Thermoplastic polyester elastomer composition 东洋纺株式会社 2017-02-22 CN disclosed