SCHEMBL29425870

SCHEMBL29425870

C[C@@]1(O)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@@]2(O)C[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ STAT3 P40763 9/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PTPN1 P18031 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
SCHEMBL29426020 0.90 POLB (0.51) MAPTALDH1A1TSHRPOLBCTDSP1
SCHEMBL31179905 0.90 POLB (0.51) MAPTALDH1A1TSHRPOLBCTDSP1
SCHEMBL29425801 0.85 MAPT (0.49) MAPTALDH1A1TSHRPOLBCTDSP1
SCHEMBL30085701 0.77 MAPT (0.47) MAPTPOLBCTDSP1STAT3MEN1
Phloyoside I SCHEMBL29426051 0.76 POLB (0.55) MAPTPOLBCTDSP1STAT3MEN1
Phlomiol SCHEMBL9057941 0.76 POLB (0.55) MAPTPOLBCTDSP1STAT3MEN1
SCHEMBL20476536 0.75 POLB (0.52) MAPTPOLBCTDSP1STAT3MEN1
SCHEMBL29426237 0.74 MAPT (0.63) MAPTPOLBCTDSP1STAT3MEN1
SCHEMBL29425860 0.74 ALDH1A1 (0.49) MAPTALDH1A1TSHRPOLBCTDSP1
SCHEMBL9695651 0.73 ALDH1A1 (0.52) MAPTALDH1A1TSHRPOLBCTDSP1

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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