SCHEMBL4736880

SCHEMBL4736880

CCCCCCCC(CC)OC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.62
PRKCD Q05655 2/20 0.62
ESR1 P03372 4/20 0.60
AKR1C4 P17516 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
SERPINE1 P05121 4/20 0.53
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
XDH P47989 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
FUT7 Q11130 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4735010 1.00 PRKCA (0.62) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL925912 0.98 PRKCA (0.63) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL36505 0.94 ESR1 (0.63) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL8078104 0.94 ESR1 (0.63) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL8530698 0.94 ESR1 (0.63) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL4733699 0.94 PRKCA (0.69) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL21275726 0.93 ESR1 (0.61) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL4733522 0.88 PRKCA (0.68) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL2764408 0.87 ESR1 (0.56) PRKCAPRKCDESR1AKR1C4AKR1C3
SCHEMBL4734869 0.85 ESR1 (0.60) PRKCAPRKCDESR1AKR1C4AKR1C3

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