SCHEMBL29426036

SCHEMBL29426036

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@H]2C[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSP90AA1 P07900 6/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ SYNJ2 O15056 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ STAT3 P40763 2/20 0.38

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
SCHEMBL29425844 0.87 HSP90AA1 (0.48) L3MBTL1HSP90AA1KDM4EGLACYP3A4
SCHEMBL29409790 0.82 L3MBTL1 (0.46) L3MBTL1HSP90AA1KDM4EGLACYP3A4
SCHEMBL9056347 0.82 L3MBTL1 (0.46) L3MBTL1HSP90AA1KDM4EGLACYP3A4
SCHEMBL30854808 0.79 L3MBTL1 (0.56) L3MBTL1HSP90AA1KDM4EGLACYP3A4
SCHEMBL422473 0.79 L3MBTL1 (0.56) L3MBTL1HSP90AA1KDM4EGLACYP3A4
SCHEMBL15391769 0.79 HSP90AA1 (0.49) L3MBTL1HSP90AA1KDM4EGLACYP3A4
SCHEMBL29354606 0.78 HSP90AA1 (0.52) L3MBTL1HSP90AA1KDM4EGLACYP3A4
SCHEMBL4604126 0.78 HSP90AA1 (0.52) L3MBTL1HSP90AA1KDM4EGLACYP3A4
SCHEMBL31345827 0.74 L3MBTL1 (0.50) L3MBTL1HSP90AA1POLBCTDSP1SYNJ2
SCHEMBL29426015 0.74 HSP90AA1 (0.65) L3MBTL1HSP90AA1KDM4EGLACYP3A4

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