SCHEMBL25314656

SCHEMBL25314656

O=C(O)c1c(C(=O)O)c(C(=O)OCC2CO2)c(C(=O)OCC2CO2)c(C(=O)OCC2CO2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MGLL Q99685 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 1/20 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
SCHEMBL25285163 1.00 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL27489835 0.95 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL25313187 0.84 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL27688965 0.84 MGLL (0.41) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL28346828 0.84 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL3082765 0.82 DHFR (0.49) MGLLL3MBTL1DHFR
SCHEMBL1714534 0.81 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL1715943 0.81 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL9615793 0.81 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL1715029 0.81 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1

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
WO-2023127343-A1 THERMOPLASTIC POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING THERMOPLASTIC POLYESTER RESIN COMPOSITION, AND MOLDED ARTICLE 東レ株式会社 2023-07-06 WO disclosed