SCHEMBL28356017

SCHEMBL28356017

O=C(OCC1CO1)c1cc2c(cc1C(=O)OCC1CO1)O2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
MGLL Q99685 5/20 0.40

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
SCHEMBL157854 0.89 DHFR (0.48) DHFRALDH1A1TP53CYP3A4L3MBTL1
SCHEMBL1646377 0.84 ALDH1A1 (0.47) DHFRALDH1A1TP53CYP3A4L3MBTL1
SCHEMBL29142156 0.83 TP53 (0.40) DHFRTP53CYP3A4L3MBTL1MAPK1
SCHEMBL28332745 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4L3MBTL1
SCHEMBL27139529 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4L3MBTL1
SCHEMBL31651033 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4L3MBTL1
SCHEMBL1714031 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4L3MBTL1
SCHEMBL7179948 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4L3MBTL1
SCHEMBL31087239 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4L3MBTL1
SCHEMBL1714352 0.81 DHFR (0.45) DHFRALDH1A1TP53CYP3A4L3MBTL1

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
CN-106661393-B Splittable adhesive tape with a dispensable, splittable liquid adhesive 德莎欧洲股份公司 2020-03-27 CN disclosed
CN-106536655-B Method for producing a bond on a surface sensitive to permeants 德莎欧洲股份公司 2020-02-07 CN disclosed