SCHEMBL28916643

SCHEMBL28916643

O=C(OCC1CO1)C1=CCCC=C1C(=O)OCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MGLL Q99685 6/20 0.42
DHFR P00374 1/20 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
SCHEMBL432930 0.80 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MGLLDHFR
SCHEMBL38933 0.77 MGLL (0.47) ALDH1A1TP53CYP3A4MGLLDHFR
SCHEMBL22357194 0.77 MGLL (0.47) ALDH1A1TP53CYP3A4MGLLDHFR
SCHEMBL157854 0.77 DHFR (0.48) ALDH1A1TP53CYP3A4MGLLDHFR
SCHEMBL6951367 0.77 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLLDHFR
SCHEMBL380904 0.76 TP53 (0.44) ALDH1A1TP53CYP3A4MGLLDHFR
SCHEMBL27538597 0.76 MGLL (0.46) ALDH1A1TP53CYP3A4MGLLDHFR
Water SCHEMBL28237529 0.76 MGLL (0.46) ALDH1A1TP53CYP3A4MGLLDHFR
SCHEMBL1714947 0.75 DHFR (0.44) ALDH1A1TP53CYP3A4MGLLDHFR
SCHEMBL13006061 0.75 HDAC4 (0.45) ALDH1A1TP53CYP3A4MGLLDHFR

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-115505240-A Recyclable carbon fiber/epoxy resin prepreg, recyclable composite material, and preparation method and application of recyclable carbon fiber/epoxy resin prepreg and recyclable composite material 中国科学院宁波材料技术与工程研究所 2022-12-23 CN claimed
CN-115505240-A Recyclable carbon fiber/epoxy resin prepreg, recyclable composite material, and preparation method and application of recyclable carbon fiber/epoxy resin prepreg and recyclable composite material 中国科学院宁波材料技术与工程研究所 2022-12-23 CN disclosed