SCHEMBL15715802

SCHEMBL15715802

CCCCOc1cc(OC)c(CNCCOCCOCCNC(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.43
BCHE P06276 3/20 0.43
CNR2 P34972 3/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PDK2 Q15119 1/20 0.39
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL15258425 0.95 CD274 (0.44) CD274BCHECNR2CA12CA1
SCHEMBL12222536 0.92 CD274 (0.44) CD274BCHECNR2CA12CA1
SCHEMBL16342025 0.91 CD274 (0.47) CD274BCHECNR2CA12CA1
SCHEMBL14586325 0.88 CD274 (0.43) CD274BCHECNR2CA12CA1
SCHEMBL14511687 0.85 ADRB2 (0.40) CD274BCHECNR2CA12CA1
SCHEMBL13857331 0.81 TAS1R3 (0.45) CD274BCHECNR2CA12CA1
SCHEMBL12706029 0.77 TP53 (0.42) BCHECNR2CA12CA1CA2
SCHEMBL17169750 0.76 TDP1 (0.51) BCHECNR2CA12CA1CA2
SCHEMBL20193876 0.76 TDP1 (0.51) BCHECNR2CA12CA1CA2
SCHEMBL13752387 0.74 TDP1 (0.53) CA12CA1CA2CA9

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-8729030-B2 Peptides that bind to the erythropoietin receptor AFFYMAX, INC. (US) 2014-05-20 US disclosed