SCHEMBL28378563

SCHEMBL28378563

CC(=CC=C(CC1CO1)C(=O)OCC1CO1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MGLL Q99685 3/20 0.35

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
SCHEMBL25215785 0.87 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4MGLL
SCHEMBL21064732 0.85 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLL
SCHEMBL15707682 0.80 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4MGLL
SCHEMBL30674073 0.78 ALDH1A1 (0.69) ALDH1A1TP53CYP3A4MGLL
SCHEMBL27409774 0.78 ALDH1A1 (0.51) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28451308 0.78 ALDH1A1 (0.51) ALDH1A1TP53CYP3A4MGLL
SCHEMBL18784073 0.76 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4MGLL
SCHEMBL26905234 0.76 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28269829 0.76 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLL
SCHEMBL147020 0.75 ALDH1A1 (0.65) 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-108977113-B Photocurable adhesive sheet, and image display device 三菱化学株式会社 2020-03-10 CN disclosed