SCHEMBL9195709

SCHEMBL9195709

O=C(NC1CNCCCC1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 18/20 1.00
PRKCB P05771 16/20 1.00
PRKCA P17252 16/20 1.00
PRKCG P05129 9/20 0.86
PRKCH P24723 9/20 0.86
PRKCD Q05655 9/20 0.86
PRKACA P17612 8/20 0.86
PRKACG P22612 6/20 0.86
PRKACB P22694 6/20 0.86
PRKCZ Q05513 6/20 0.86
PRKD3 O94806 3/20 0.86
PRKCI P41743 3/20 0.86
PRKCQ Q04759 3/20 0.86
PRKD1 Q15139 3/20 0.86
GRK2 P25098 1/20 0.81
GRK4 P32298 1/20 0.81
GRK5 P34947 1/20 0.81
GRK3 P35626 1/20 0.81
GRK6 P43250 1/20 0.81
PRKG1 Q13976 1/20 0.81

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
SCHEMBL16131344 1.00 PRKCE (1.00) PRKCEPRKCBPRKCAPRKCGPRKCH
SCHEMBL12013410 0.93 PRKCB (1.00) PRKCEPRKCBPRKCAPRKCGPRKCH
SCHEMBL14515466 0.92 PRKCB (1.00) PRKCEPRKCBPRKCAPRKCGPRKCH
SCHEMBL9202935 0.90 PRKCB (0.81) PRKCEPRKCBPRKCAPRKCGPRKCH
SCHEMBL9202943 0.90 PRKCB (0.81) PRKCEPRKCBPRKCAPRKCGPRKCH
Balanol SCHEMBL62128 0.89 PRKCB (1.00) PRKCEPRKCBPRKCAPRKCGPRKCH
Balanol SCHEMBL62129 0.89 PRKCB (1.00) PRKCEPRKCBPRKCAPRKCGPRKCH
Balanol SCHEMBL12012990 0.89 PRKCB (1.00) PRKCEPRKCBPRKCAPRKCGPRKCH
Balanol SCHEMBL8666687 0.89 PRKCB (0.98) PRKCEPRKCBPRKCAPRKCGPRKCH
SCHEMBL9195722 0.89 PRKCE (0.84) PRKCEPRKCBPRKCAPRKCGPRKCH

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-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed