SCHEMBL29426181

SCHEMBL29426181

C/C(=C\CO)CC/C=C(\C)C(=O)O[C@H]1[C@H](O[C@@H]2OC=C(C=O)[C@@]3(O)CC[C@@H](C)[C@@H]23)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 10/20 0.34
▸ POLB P06746 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL29516847 0.81 POLB (0.46) STAT3POLBCTDSP1MAPTMEN1
SCHEMBL29594415 0.68 HSP90AA1 (0.61) STAT3POLBCTDSP1MAPTMEN1
SCHEMBL29425853 0.67 MAPT (0.48) STAT3POLBCTDSP1MAPTMEN1
SCHEMBL29426172 0.66 MAPT (0.54) STAT3MAPT
SCHEMBL29375702 0.61 LGALS8 (0.47) —
SCHEMBL19499656 0.61 LGALS8 (0.47) —
SCHEMBL9058007 0.60 POLB (0.46) STAT3POLBCTDSP1MAPTMEN1
SCHEMBL29425960 0.59 POLB (0.53) STAT3POLBCTDSP1MAPTMEN1
SCHEMBL16351477 0.58 IGF2R (0.43) STAT3MAPTMEN1KMT2A
SCHEMBL1984501 0.57 CD69 (0.48) STAT3MAPTMEN1KMT2A

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