SCHEMBL21479040

SCHEMBL21479040

CCOC(=O)CCCOc1ccc2nc(O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.62
PDE3A Q14432 9/20 0.62
P2RY12 Q9H244 7/20 0.62
CYSLTR2 Q9NS75 3/20 0.57
CYSLTR1 Q9Y271 3/20 0.57
BRD4 O60885 1/20 0.51
PPARG P37231 2/20 0.48
FFAR1 O14842 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
PDE2A O00408 1/20 0.47
PDK2 Q15119 1/20 0.46
PTPN1 P18031 1/20 0.45
NCF1 P14598 1/20 0.45

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
SCHEMBL30876849 0.86 PDE3B (0.61) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL21479621 0.86 PDE3B (0.61) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL29211939 0.85 PDE3B (0.60) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL30876852 0.85 PDE3B (0.60) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL21478669 0.83 PDE3B (0.58) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL23387027 0.82 PDE3B (0.57) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL5958925 0.82 NCF1 (0.51) CYSLTR2CYSLTR1NCF1
SCHEMBL21482984 0.82 PDE3B (0.59) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL7632059 0.81 CYSLTR2 (0.64) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL30876851 0.81 PDE3B (0.55) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1

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-2019199621-A1 BI-FUNCTIONAL MOLECULES TO DEGRADE CIRCULATING PROTEINS YALE UNIVERSITY (US) 2019-10-17 WO disclosed