SCHEMBL31179884

SCHEMBL31179884

O=C(/C=C\c1ccc(O)cc1)OC[C@@]1(O)CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ELANE P08246 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA3 P07451 1/20 0.41

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
SCHEMBL31179879 1.00 HSP90AA1 (0.55) HSP90AA1KDM4EGLACYP3A4MAPT
SCHEMBL29751499 0.83 POLB (0.57) HSP90AA1KDM4EGLACYP3A4MAPT
SCHEMBL29426041 0.79 HSP90AA1 (0.46) HSP90AA1KDM4EGLACYP3A4MAPT
SCHEMBL29425910 0.78 PRKCA (0.49) HSP90AA1CYP3A4ALDH1A1TSHRELANE
SCHEMBL2636258 0.77 MAPT (0.61) MAPTPOLBCTDSP1
SCHEMBL29425873 0.76 MAPT (0.64) HSP90AA1KDM4EGLACYP3A4MAPT
SCHEMBL29425919 0.75 PTPN1 (0.52) HSP90AA1CYP3A4ELANECA12CA4
Luzonoside D SCHEMBL422895 0.74 STAT3 (0.55) MAPTELANE
Luzonoside C SCHEMBL421025 0.74 STAT3 (0.55) MAPTELANE
SCHEMBL29425888 0.74 HSP90AA1 (0.64) HSP90AA1KDM4EGLACYP3A4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702037-A1 METHOD OF PRODUCING IRIDOIDS Nicoventures Trading Limited (GB) 2026-03-04 — — EP disclosed
WO-2024224085-A1 METHOD OF PRODUCING IRIDOIDS Nicoventures Trading Limited (GB) 2024-10-31 — — WO disclosed
Send feedback