SCHEMBL13625633

SCHEMBL13625633

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 1.00
PRKCD Q05655 1/20 1.00
MMP1 P03956 1/20 0.60
MMP12 P39900 1/20 0.60
NR4A2 P43354 2/20 0.53
MAOB P27338 3/20 0.52
MRGPRX4 Q96LA9 2/20 0.52
IDO1 P14902 2/20 0.51
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
THRB P10828 1/20 0.49
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACP3 P15309 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
SCHEMBL12879196 0.82 PRKCA (0.70) PRKCAPRKCDMMP1MMP12NR4A2
SCHEMBL13625639 0.82 PRKCA (0.69) PRKCAPRKCDMMP1MMP12NR4A2
SCHEMBL4314829 0.81 KMT2A (0.68) PRKCAPRKCDLMNAMAPTL3MBTL1
SCHEMBL13625843 0.80 PRKCA (0.67) PRKCAPRKCDMMP1MMP12NR4A2
SCHEMBL20830725 0.78 LMNA (0.66) PRKCAPRKCDMMP1MMP12NR4A2
SCHEMBL13625699 0.78 PRKCA (0.63) PRKCAPRKCDLMNA
SCHEMBL9405203 0.78 PRKCA (0.63) PRKCAPRKCDMMP1MMP12NR4A2
SCHEMBL2660451 0.78 PRKCA (0.63) PRKCAPRKCDMMP1MMP12NR4A2
SCHEMBL27854715 0.78 PRKCA (0.63) PRKCAPRKCDMMP1MMP12NR4A2
SCHEMBL13625640 0.78 PRKCA (0.64) PRKCAPRKCDMMP1MMP12MAOB

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