SCHEMBL20116491

SCHEMBL20116491

CCOC(=N)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 0.51
RECQL P46063 1/20 0.50
TUBB1 Q9H4B7 5/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47

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
SCHEMBL20116214 0.86 PRSS1 (0.54) PDE4BPDE4APDE4CPDE4DHSD17B2
SCHEMBL18346603 0.82 CA12 (0.65) HSD17B2RECQLDGAT1CA12CA1
SCHEMBL20116490 0.81 PDE4A (0.57) PDE4BPDE4APDE4CPDE4DTUBB1
SCHEMBL460455 0.81 HSD17B2 (0.77) PDE4BPDE4APDE4CPDE4DHSD17B2
SCHEMBL14042191 0.81 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL760141 0.79 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DHSD17B2
SCHEMBL9219136 0.78 DGAT1 (0.53) HSD17B2DGAT1TSHRALOX12MEN1
SCHEMBL21823575 0.78 PRSS1 (0.54) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL2461112 0.77 HSD17B2 (0.45) PDE4BPDE4APDE4CPDE4DHSD17B2
SCHEMBL13108706 0.77 DGAT1 (0.62) HSD17B2RECQLDGAT1CA12CA1

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed