SCHEMBL29425998

SCHEMBL29425998

CCOC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ STAT3 P40763 8/20 0.45
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL9057631 0.92 ELANE (0.55) ELANEL3MBTL1STAT3MAPTMEN1
Asperulosidic Acid SCHEMBL29459346 0.90 MAPT (0.52) ELANEL3MBTL1STAT3MAPTMEN1
Asperulosidic Acid SCHEMBL422107 0.90 MAPT (0.52) ELANEL3MBTL1STAT3MAPTMEN1
SCHEMBL29425847 0.82 ELANE (0.53) ELANESTAT3MAPTMEN1KMT2A
SCHEMBL28912673 0.82 ELANE (0.53) ELANESTAT3MAPTMEN1KMT2A
SCHEMBL29425898 0.81 ELANE (0.65) ELANEL3MBTL1STAT3MAPTMEN1
SCHEMBL29896779 0.81 ELANE (0.65) ELANEL3MBTL1STAT3MAPTMEN1
SCHEMBL29425927 0.81 ELANE (0.65) ELANEL3MBTL1STAT3MAPTMEN1
SCHEMBL20572206 0.81 ELANE (0.65) ELANEL3MBTL1STAT3MAPTMEN1
Paederosidic Acid SCHEMBL424808 0.80 MAPT (0.50) ELANEL3MBTL1STAT3MAPTMEN1

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
Send feedback