SCHEMBL13770495

SCHEMBL13770495

C/N=C1\C=C\CC/C=C/CCOC(=O)c2c(O)cc(O)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
GEMIN4 P57678 1/20 0.40
HSF1 Q00613 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MKNK2 Q9HBH9 5/20 0.39
HSP90AB1 P08238 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MKNK1 Q9BUB5 3/20 0.35
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
PLK4 O00444 2/20 0.33

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
SCHEMBL19418440 0.85 F13A1 (0.41) F13A1TGM2GEMIN4HSF1NPC1
SCHEMBL10150176 0.84 F13A1 (0.58) F13A1TGM2GEMIN4HSF1NPC1
SCHEMBL13770184 0.83 F13A1 (0.38) F13A1TGM2GEMIN4HSF1NPC1
SCHEMBL12253173 0.82 F13A1 (0.39) F13A1TGM2GEMIN4HSF1NPC1
SCHEMBL17787723 0.81 F13A1 (0.45) F13A1TGM2GEMIN4HSF1NPC1
SCHEMBL19418507 0.81 F13A1 (0.45) F13A1TGM2GEMIN4HSF1NPC1
SCHEMBL20840817 0.81 HSP90AB1 (0.52) MAPTRAB9ANPSR1HSP90AB1GAA
SCHEMBL13050578 0.81 F13A1 (0.38) F13A1TGM2GEMIN4HSF1NPC1
SCHEMBL12253182 0.81 F13A1 (0.38) F13A1TGM2GEMIN4HSF1NPC1
SCHEMBL12252500 0.81 F13A1 (0.38) F13A1TGM2GEMIN4HSF1NPC1

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-2009091921-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2009-07-23 WO disclosed