SCHEMBL13626190

SCHEMBL13626190

N#Cc1cccc(COC(=O)c2cc(CO)cc(C(=O)OCc3cccc(C#N)c3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.62
PRKCD Q05655 1/20 0.62
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MRGPRX4 Q96LA9 5/20 0.45
TDP1 Q9NUW8 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALKBH1 Q13686 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.41
MEP1A Q16819 1/20 0.41

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
SCHEMBL4030534 0.86 GSK3B (0.53) FFAR1FFAR4MRGPRX4TDP1SLC6A2
SCHEMBL29248378 0.81 MRGPRX4 (0.53) FFAR1FFAR4MRGPRX4TDP1SLC6A2
SCHEMBL4314829 0.79 KMT2A (0.68) PRKCAPRKCDTDP1SLC6A2SLC6A3
SCHEMBL13625843 0.79 PRKCA (0.67) PRKCAPRKCDMRGPRX4TDP1SLC6A2
SCHEMBL6330377 0.79 TDP1 (0.63) TDP1SLC6A2SLC6A3KMT2AKDM4E
SCHEMBL16150588 0.77 ALDH1A1 (0.56) FFAR1FFAR4MRGPRX4ALDH1A1GSK3B
SCHEMBL16439821 0.77 FFAR1 (0.53) FFAR1FFAR4MRGPRX4CYP19A1CYP11B1
SCHEMBL2659356 0.77 ALDH1A1 (0.56) FFAR1FFAR4MRGPRX4ALDH1A1GSK3B
SCHEMBL14783862 0.77 FFAR1 (0.53) FFAR1FFAR4MRGPRX4CYP19A1CYP11B1
SCHEMBL13625633 0.77 PRKCA (1.00) PRKCAPRKCDFFAR1FFAR4MRGPRX4

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-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed