SCHEMBL7058670

SCHEMBL7058670

CCOC(=O)Cc1c(O)nc2cc(CC)c(OC)c(OC)c2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
AHR P35869 1/20 0.35
DPP4 P27487 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7059106 0.92 MAPK1 (0.34) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL7061647 0.89 MAPK1 (0.37) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL7055139 0.84 ALDH1A1 (0.41) MAPK1KDM4EALDH1A1MAPTGAA
SCHEMBL7056217 0.82 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL7060393 0.81 MAPK1 (0.39) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL6489335 0.81 HSD17B10 (0.46) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL7055682 0.80 KDM4E (0.39) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL7056212 0.77 KDM4E (0.41) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL7057726 0.76 MAPK1 (0.36) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL7057483 0.76 KDM4E (0.39) MAPK1KDM4EALDH1A1HPGDMAPT

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-2003035618-A2 MODULATORS OF PHOSPHOINOSITIDE 3-KINASE ICONIX PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed