SCHEMBL14515466

SCHEMBL14515466

O=C(N[C@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 19/20 1.00
PRKCA P17252 19/20 1.00
PRKCE Q02156 19/20 1.00
PRKCG P05129 13/20 0.88
PRKCH P24723 13/20 0.88
PRKCD Q05655 13/20 0.88
PRKACA P17612 12/20 0.88
PRKACG P22612 8/20 0.88
PRKACB P22694 8/20 0.88
PRKCZ Q05513 8/20 0.88
PRKD3 O94806 3/20 0.88
PRKCI P41743 3/20 0.88
PRKCQ Q04759 3/20 0.88
PRKD1 Q15139 3/20 0.88
GRK2 P25098 1/20 0.88
GRK4 P32298 1/20 0.88
GRK5 P34947 1/20 0.88
GRK3 P35626 1/20 0.88
GRK6 P43250 1/20 0.88
PRKG1 Q13976 1/20 0.88

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
Balanol SCHEMBL12012990 0.94 PRKCB (1.00) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL62129 0.94 PRKCB (1.00) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL62128 0.94 PRKCB (1.00) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL8666687 0.93 PRKCB (0.98) PRKCBPRKCAPRKCEPRKCGPRKCH
SCHEMBL16131344 0.92 PRKCE (1.00) PRKCBPRKCAPRKCEPRKCGPRKCH
SCHEMBL9195709 0.92 PRKCE (1.00) PRKCBPRKCAPRKCEPRKCGPRKCH
SCHEMBL9195722 0.91 PRKCE (0.84) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL9196065 0.91 PRKCB (0.94) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL9393094 0.89 PRKCB (0.91) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL9198287 0.89 PRKCB (0.91) PRKCBPRKCAPRKCEPRKCGPRKCH

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
US-7220870-B2 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-22 US disclosed
US-7220870-B2 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-22 US disclosed