SCHEMBL29091971

SCHEMBL29091971

O=C(O)C12CC1(C(=O)OCC1CO1)O2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MGLL Q99685 6/20 0.38

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
SCHEMBL2442266 0.77 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28949251 0.76 TP53 (0.49) ALDH1A1TP53CYP3A4MGLL
SCHEMBL15259586 0.73 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28590410 0.72 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MGLL
SCHEMBL1375231 0.72 TP53 (0.45) ALDH1A1TP53CYP3A4MGLL
SCHEMBL12189491 0.72
SCHEMBL377539 0.72
SCHEMBL27950232 0.72
SCHEMBL28019079 0.71 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MGLL
SCHEMBL12328376 0.71 ALDH1A1 (0.43) 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-116940634-A Surface treating agent 大金工业株式会社 2023-10-24 CN disclosed