SCHEMBL30925714

SCHEMBL30925714

COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)C[C@]3(C)[C@H]4CC=C5[C@H]6[C@](C(=O)O)(CC[C@@H](C)[C@@]6(C)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)ccc1O

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GYS2 P54840 1/20 0.85
SENP1 Q9P0U3 2/20 0.61
PDE4D Q08499 2/20 0.61
PDE5A O76074 1/20 0.61
PDE9A O76083 1/20 0.61
PDE1B Q01064 1/20 0.61
HSD11B1 P28845 1/20 0.57
ACHE P22303 1/20 0.56
PTPN1 P18031 3/20 0.54
PLCG1 P19174 6/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL29649785 0.90 PDE4D (0.73) GYS2SENP1PDE4DPDE5APDE9A
SCHEMBL29649857 0.90 PDE4D (0.73) GYS2SENP1PDE4DPDE5APDE9A
SCHEMBL12181490 0.90 PDE4D (0.73) GYS2SENP1PDE4DPDE5APDE9A
SCHEMBL24433073 0.90 PDE4D (0.73) GYS2SENP1PDE4DPDE5APDE9A
SCHEMBL12181496 0.90 PDE4D (0.73) GYS2SENP1PDE4DPDE5APDE9A
SCHEMBL24433072 0.90 PDE4D (0.73) GYS2SENP1PDE4DPDE5APDE9A
SCHEMBL15163884 0.85 PDE4D (0.68) GYS2SENP1PDE4DPDE5APDE9A
SCHEMBL15163880 0.85 PDE4D (0.68) GYS2SENP1PDE4DPDE5APDE9A
SCHEMBL13637888 0.84 POLB (0.68) GYS2PDE4DPDE5APDE9APDE1B
SCHEMBL13487367 0.84 POLB (0.68) GYS2PDE4DPDE5APDE9APDE1B

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-4630026-A1 COMPOSITIONS COMPRISING SANGUISORBA OFFICINALIS ROOT EXTRACT AND USES THEREOF CLARIANT INTERNATIONAL LTD (CH) 2025-10-15 EP disclosed
WO-2024120853-A1 COMPOSITIONS COMPRISING SANGUISORBA OFFICINALIS ROOT EXTRACT AND USES THEREOF CLARIANT INTERNATIONAL LTD (CH) 2024-06-13 WO disclosed