SCHEMBL17145859

SCHEMBL17145859

CC(=O)c1cc2c(OP(=O)(O)O)c3ccccc3c(OP(=O)(O)O)c2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
INPPL1 O15357 2/20 0.38
INPP5A Q14642 2/20 0.38
AKT1 P31749 1/20 0.38
ALDH1A1 P00352 3/20 0.36
STAT3 P40763 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL17145858 0.92 MAPT (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL17145347 0.89 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL29488 0.80 LMNA (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12493926 0.78 MAPT (0.48) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL20089233 0.75 LMNA (0.37) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL17145346 0.74 KLKB1 (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12494851 0.74 LMNA (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18123828 0.74 LMNA (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12525445 0.73 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18123713 0.73 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017079864-A1 TREATMENT OF CANCERS RELATED TO CHRONICALLY ACTIVE RAS HANGZHOU YIER BIOTECH CO., LTD. (CN) 2017-05-18 WO disclosed
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed