SCHEMBL29426070

SCHEMBL29426070

CC1(O)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ STAT3 P40763 7/20 0.40
▸ CYP19A1 P11511 3/20 0.37

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
SCHEMBL29426039 0.88 AKR1B1 (0.41) AKR1B1MAPTMEN1KMT2AKDM4E
SCHEMBL2636258 0.84 MAPT (0.61) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL29426109 0.82 MAPT (0.35) AKR1B1MAPTMEN1KMT2AKDM4E
Negundoside SCHEMBL381311 0.81 HSP90AA1 (0.48) MAPTPOLBCTDSP1EPHX2STAT3
SCHEMBL29425982 0.76 POLB (0.62) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL9056451 0.76 POLB (0.62) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL29426121 0.73 AKR1B1 (0.40) AKR1B1MAPTMEN1KMT2AKDM4E
SCHEMBL31179880 0.71 POLB (0.64) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL29425841 0.71 POLB (0.46) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL9058007 0.70 POLB (0.46) MAPTMEN1KMT2APOLBCTDSP1

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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