SCHEMBL13625843

SCHEMBL13625843

O=C(OCc1cccc(Cl)c1)c1cc(CO)cc(C(=O)OCc2cccc(Cl)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.67
PRKCD Q05655 1/20 0.67
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
HCAR2 Q8TDS4 1/20 0.52
HTT P42858 2/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
NR4A2 P43354 1/20 0.48
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4314829 0.83 KMT2A (0.68) PRKCAPRKCDSLC6A2SLC6A3KMT2A
SCHEMBL1129557 0.82 LMNA (0.66) MMP1MMP2MMP9MMP12HCAR2
SCHEMBL27636542 0.82 KMT2A (0.67) MMP1MMP2MMP9MMP12HCAR2
SCHEMBL12879193 0.81 MMP2 (0.54) MMP1MMP2MMP9MMP12HCAR2
SCHEMBL13625633 0.80 PRKCA (1.00) PRKCAPRKCDMMP1MMP12HTT
SCHEMBL13625640 0.80 PRKCA (0.64) PRKCAPRKCDMMP1MMP2MMP9
SCHEMBL13626190 0.79 PRKCA (0.62) PRKCAPRKCDSLC6A2SLC6A3KMT2A
SCHEMBL31738263 0.78 MMP1 (0.54) MMP1MMP2MMP9MMP12HCAR2
SCHEMBL31738256 0.78 MMP1 (0.54) MMP1MMP2MMP9MMP12HCAR2
SCHEMBL13625637 0.78 PRKCA (0.61) PRKCAPRKCDHTTMAOAMAOB

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