SCHEMBL29425886

SCHEMBL29425886

CC1=C2C(=O)OCC(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.41
▸ STAT3 P40763 1/20 0.36
▸ SLC28A3 Q9HAS3 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ IMPDH2 P12268 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL31465656 0.67 CYP19A1 (0.44) STAT3SLC28A3ALDH1A1MEN1KMT2A
SCHEMBL13280793 0.65 L3MBTL1 (0.54) SLC28A3ACHEMEN1KMT2APOLB
SCHEMBL6426535 0.64 SLC28A3 (0.48) SLC28A3ALDH1A1POLBMAPT
SCHEMBL3016684 0.64 SLC28A3 (0.48) SLC28A3ALDH1A1POLBMAPT
SCHEMBL9007975 0.64 L3MBTL1 (0.44) PTPN1SLC28A3MEN1KMT2AMAPT
SCHEMBL6872763 0.64 L3MBTL1 (0.44) PTPN1SLC28A3MEN1KMT2AMAPT
SCHEMBL6060841 0.64 SLC28A3 (0.50) SLC28A3MAPT
SCHEMBL5199795 0.64 SLC28A3 (0.50) SLC28A3MAPT
SCHEMBL16285372 0.64 SLC28A3 (0.50) SLC28A3MAPT
SCHEMBL22026379 0.64 SLC28A3 (0.50) SLC28A3MAPT

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
EP-3409766-B1 AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS N ZYME BIOTEC GMBH (DE) 2022-03-09 — — EP disclosed
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