SCHEMBL28019079

SCHEMBL28019079

O=C(O)C12C=CCCC1(C(=O)OCC1CO1)O2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MGLL Q99685 6/20 0.34

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
SCHEMBL14881045 0.92 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MGLL
SCHEMBL9721033 0.76
SCHEMBL7934500 0.71 TP53 (0.41) ALDH1A1TP53CYP3A4MGLL
SCHEMBL29091971 0.71 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28949251 0.70 TP53 (0.49) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28590410 0.69 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MGLL
SCHEMBL15259586 0.67 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4MGLL
SCHEMBL536513 0.67 TP53 (0.43) ALDH1A1TP53CYP3A4MGLL
SCHEMBL27757860 0.67 TP53 (0.47) ALDH1A1TP53CYP3A4MGLL
SCHEMBL15095468 0.66 ALDH1A1 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744893-A Shape memory epoxy resin and preparation method thereof UNIV TONGJI 2015-07-01 CN claimed
CN-107851731-A ORGANIC ELECTRONIC DEVICE 株式会社LG化学 2018-03-27 CN disclosed
CN-104011161-B It is used in particular for encapsulating the binder substance of electronic building brick 德莎欧洲公司 2016-08-31 CN disclosed
CN-104744893-A Shape memory epoxy resin and preparation method thereof UNIV TONGJI 2015-07-01 CN disclosed