SCHEMBL26425111

SCHEMBL26425111

COc1cc(C(=O)OCC2CO2)cc(C(=O)OC[C@H]2CO2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL22357195 1.00 KMT2A (0.46) KMT2AHPGDALDH1A1PKMMAPT
SCHEMBL23339067 0.92 KMT2A (0.41) KMT2AHPGDALDH1A1PKMMAPT
SCHEMBL6951367 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL17233757 0.84 CA1 (0.51) HPGDALDH1A1PKMMAPTL3MBTL1
SCHEMBL19647689 0.84 TSHR (0.44) ALDH1A1MAPTTP53CYP3A4
SCHEMBL22357190 0.84 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4
SCHEMBL28073407 0.82 MGLL (0.43) ALDH1A1TP53CYP3A4
SCHEMBL19628366 0.81 LMNA (0.47) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL19628365 0.81 TP53 (0.45) ALDH1A1TP53CYP3A4
SCHEMBL16273358 0.81 ALDH1A1 (0.45) KMT2AALDH1A1MEN1L3MBTL1TP53

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
WO-2023238920-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM TO REDUCE ENVIRONMENTAL IMPACT 日産化学株式会社 2023-12-14 WO disclosed
WO-2023181960-A1 COMPOSITION FOR FORMING PROTECTIVE FILM 日産化学株式会社 2023-09-28 WO disclosed