SCHEMBL7230987

SCHEMBL7230987

COc1cc(CO)c(N)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42

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
SCHEMBL18421247 0.82 MAPT (0.42) KDM4EPOLBPDE4APDE4BPDE4C
SCHEMBL28312125 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5534604 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2024931 0.77 CA2 (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL12626305 0.77 PDE4A (0.47) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL9348395 0.74 KDM4E (0.55) KDM4EPOLBTUBB4ATUBBTUBA3C
SCHEMBL11928777 0.74 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL19014916 0.74 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL16156475 0.74 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL31469617 0.74 PDE4A (0.57) KDM4EPDE4APDE4BPDE4CPDE4D

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
US-6531469-B1 Treatment of myocardial ischemia, chronic stable angina, unstable angina and prinzmetal's angina attacks, silent cardiac ischemia, reinfarction, reocclusion and restenosis PIERRE FABRE MEDICAMENT (FR) 2003-03-11 US disclosed