SCHEMBL760141

SCHEMBL760141

CCOC(=O)C(=O)c1ccc(OC)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.56
PDE4A P27815 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
HSD17B2 P37059 1/20 0.55
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51

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
SCHEMBL757997 0.88 HSD17B2 (0.72) HSD17B2MEN1RAB9AKMT2ACA12
SCHEMBL2124837 0.87 MAPK1 (0.58) HSD17B2MEN1RAB9AKMT2ACA12
SCHEMBL460455 0.84 HSD17B2 (0.77) PDE4BPDE4APDE4CPDE4DHSD17B2
SCHEMBL13074870 0.83 CA12 (0.69) HSD17B2MEN1RAB9AKMT2ACA12
SCHEMBL17420540 0.83 TAS1R3 (0.52) HSD17B2MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL30628203 0.83 TAS1R3 (0.52) HSD17B2MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL10044243 0.81 HSD17B2 (0.52) PDE4BPDE4APDE4CPDE4DHSD17B2
SCHEMBL16068652 0.80 HSD17B2 (0.50) HSD17B2MEN1RAB9AKMT2AKDM4E
SCHEMBL16068855 0.80 HSD17B2 (0.50) HSD17B2MEN1RAB9AKMT2AKDM4E
SCHEMBL10422057 0.79 HSD17B2 (0.64) PDE4BPDE4APDE4CPDE4DHSD17B2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217093-B1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2012-03-21 EP claimed
EP-2217093-A1 FLAVOUR-MODULATING COMPOUNDS Givaudan SA (CH) 2010-08-18 EP claimed
WO-2009055953-A1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2009-05-07 WO claimed
EP-2217093-B1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2012-03-21 EP disclosed
EP-2217093-A1 FLAVOUR-MODULATING COMPOUNDS Givaudan SA (CH) 2010-08-18 EP disclosed
WO-2009055953-A1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2009-05-07 WO disclosed
WO-2009055953-A1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2009-05-07 WO disclosed