SCHEMBL13625640

SCHEMBL13625640

COc1cccc(COC(=O)c2cc(CO)cc(C(=O)OCc3cccc(OC)c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.64
PRKCD Q05655 1/20 0.64
MMP1 P03956 2/20 0.57
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
MMP12 P39900 2/20 0.57
MRGPRX4 Q96LA9 2/20 0.52
THRB P10828 1/20 0.52
PRKCZ Q05513 1/20 0.51
MMP13 P45452 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL5334298 0.88 MMP1 (0.63) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL27957224 0.82 MMP1 (0.56) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL4314829 0.81 KMT2A (0.68) PRKCAPRKCDKDM4EALDH1A1MAPT
SCHEMBL27957113 0.80 MMP1 (0.54) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL13625843 0.80 PRKCA (0.67) PRKCAPRKCDMMP1MMP2MMP9
SCHEMBL15014006 0.80 MMP1 (0.56) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL31326237 0.79 MMP1 (0.61) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL28556983 0.79 MMP1 (0.61) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL13625637 0.78 PRKCA (0.61) PRKCAPRKCDKDM4EALDH1A1MAPT
SCHEMBL1421428 0.78 KMT2A (0.65) MMP1MMP2MMP9MMP12MRGPRX4

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