SCHEMBL8569838

SCHEMBL8569838

COc1ccc(CC(=O)O)c2[nH]c(CC(C)c3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
STING1 Q86WV6 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1553915 0.84 PDE4A (0.41) NPSR1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8570016 0.83 PDE4A (0.40) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8570008 0.83 PDE4A (0.41) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL1554296 0.83 PDE4A (0.41) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8574183 0.82 HSD17B10 (0.39) HSD17B10STING1NPSR1PTGDR2PDE4A
SCHEMBL8574149 0.82 PDE4A (0.51) HSD17B10STING1PDE4APDE4BPDE4C
SCHEMBL8574189 0.81 PDE4A (0.52) HSD17B10STING1PDE4APDE4BPDE4C
SCHEMBL2524512 0.81 HSD17B10 (0.42) HSD17B10STING1PDE4APDE4BPDE4C
SCHEMBL8574115 0.80 PDE4A (0.47) HSD17B10STING1NPSR1PDE4APDE4B
SCHEMBL8571583 0.80 SMN1; SMN2 (0.43) HSD17B10STING1MEN1KMT2AROCK2

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