SCHEMBL9057809

SCHEMBL9057809

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 2/20 0.50
▸ CYP19A1 P11511 2/20 0.50
▸ MMP2 P08253 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ AKR1B1 P15121 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ STAT3 P40763 8/20 0.41
▸ JUN P05412 1/20 0.40

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
SCHEMBL29426091 0.84 CYP19A1 (0.44) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL29425910 0.83 PRKCA (0.49) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL29425833 0.81 PRKCA (0.51) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL29425982 0.79 POLB (0.62) POLBCTDSP1STAT3
SCHEMBL9056451 0.79 POLB (0.62) POLBCTDSP1STAT3
SCHEMBL28901133 0.77 PRKCA (0.72) PRKCACYP19A1MMP2MMP3MMP9
Luzonoside C SCHEMBL421025 0.74 STAT3 (0.55) ELANESTAT3
Luzonoside D SCHEMBL422895 0.74 STAT3 (0.55) ELANESTAT3
SCHEMBL29426041 0.74 HSP90AA1 (0.46) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL29426143 0.73 PRKCA (0.52) PRKCACYP19A1MMP2MMP3MMP9

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
WO-1996010408-A1 CARDIOACTIVE COMPOUNDS ISOLATED FROM WOODY PERENNIALS THE EXECUTIVE DIRECTOR OF THE WESTERN AUSTRALIAN DEPARTMENT OF CONSERVATION AND LAND MANAGEMENT (AU) 1996-04-11 — — WO disclosed
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