SCHEMBL4733294

SCHEMBL4733294

CCC1(OC(=O)c2cc(O)c(O)c(O)c2)C2(C)CCC(C2)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
SERPINE1 P05121 9/20 0.40
ESR1 P03372 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 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
SCHEMBL11965873 0.77 ALOX15 (0.33) KDM4ELMNA
SCHEMBL1719122 0.73 ALDH1A1 (0.32)
SCHEMBL1719124 0.73 ALDH1A1 (0.32)
SCHEMBL14915031 0.73
SCHEMBL2828538 0.73
SCHEMBL10540652 0.71 HCAR2 (0.35)
SCHEMBL4741177 0.69 TDP1 (0.56) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL13376957 0.69 MAPT (0.30)
SCHEMBL29648981 0.67 SERPINE1 (0.51) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4733155 0.66 MAPT (0.70) SERPINE1KDM4ELMNAGAAELANE

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-2008065527-A2 GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS GHISALBERTI CARLO (BR) 2008-06-05 WO disclosed