SCHEMBL8575103

SCHEMBL8575103

COc1ccc(CC(=O)O)c2[nH]c(Cc3ccc(Br)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
RNASEH1 O60930 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
STING1 Q86WV6 1/20 0.38
LMNA P02545 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37

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
SCHEMBL8572885 0.90 HSD17B10 (0.47) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL8574149 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL8574598 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL1552797 0.84 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DRNASEH1
Hydrochloric Acid SCHEMBL8571296 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL8571063 0.82 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL2524512 0.82 HSD17B10 (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8574115 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL1554227 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL8571288 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DRNASEH1

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed