SCHEMBL29426201

SCHEMBL29426201

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ XDH P47989 1/20 0.46
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ STAT3 P40763 2/20 0.36

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
SCHEMBL29426015 0.91 HSP90AA1 (0.65) HSP90AA1L3MBTL1XDHPOLBCTDSP1
SCHEMBL29354606 0.84 HSP90AA1 (0.52) HSP90AA1L3MBTL1XDHPOLBCTDSP1
SCHEMBL4604126 0.84 HSP90AA1 (0.52) HSP90AA1L3MBTL1XDHPOLBCTDSP1
SCHEMBL31345827 0.80 L3MBTL1 (0.50) HSP90AA1L3MBTL1XDHPOLBCTDSP1
SCHEMBL3202619 0.77 HSP90AA1 (0.50) HSP90AA1L3MBTL1XDHPOLBCTDSP1
SCHEMBL30854808 0.76 L3MBTL1 (0.56) HSP90AA1L3MBTL1XDHPOLBCTDSP1
SCHEMBL10307818 0.76 L3MBTL1 (0.53) HSP90AA1L3MBTL1XDHPOLBCTDSP1
SCHEMBL422473 0.76 L3MBTL1 (0.56) HSP90AA1L3MBTL1XDHPOLBCTDSP1
SCHEMBL29425793 0.74 L3MBTL1 (0.56) HSP90AA1L3MBTL1XDHMEN1KMT2A
SCHEMBL17119370 0.73 L3MBTL1 (0.55) HSP90AA1L3MBTL1XDHMEN1KMT2A

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