SCHEMBL7552663

SCHEMBL7552663

C[C@@H]1O[C@@](O)(CC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ PTPN1 P18031 2/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36

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
SCHEMBL7554376 0.81 ALDH1A1 (0.41) MMP9MMP8MAPTALDH1A1MAPK1
SCHEMBL7556738 0.81 ALDH1A1 (0.41) MMP9MMP8MAPTALDH1A1MAPK1
SCHEMBL7553587 0.81 ALDH1A1 (0.41) MMP9MMP8MAPTALDH1A1MAPK1
SCHEMBL7555317 0.81 ALDH1A1 (0.41) MMP9MMP8MAPTALDH1A1MAPK1
SCHEMBL7548950 0.81 ALDH1A1 (0.41) MMP9MMP8MAPTALDH1A1MAPK1
SCHEMBL7548243 0.79 MAPT (0.42) MMP9MMP8MAPTALDH1A1MAPK1
SCHEMBL7557071 0.79 MAPT (0.42) MMP9MMP8MAPTALDH1A1MAPK1
SCHEMBL2491210 0.73 ALDH1A1 (0.42) MMP9MMP8MAPTALDH1A1MAPK1
SCHEMBL8616794 0.65 SLC5A1 (0.39) ALDH1A1SMN1; SMN2CYP3A4ALOX15LMNA
Propiophenone SCHEMBL14244535 0.63 SMN1; SMN2 (0.75) MAPTALDH1A1MAPK1GSK3BTRPA1

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-2002051803-A2 NOVEL C-GLYCOSIDE DERIVATIVES AND USE THEREOF L'OREAL (FR) 2002-07-04 — — WO claimed
WO-2002051803-A2 NOVEL C-GLYCOSIDE DERIVATIVES AND USE THEREOF L'OREAL (FR) 2002-07-04 — — WO disclosed
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