SCHEMBL13257584

SCHEMBL13257584

CCOCCOCCOc1nc2cc[nH]c2c(=O)n1-c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.35
HSD17B10 Q99714 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ESR2 Q92731 6/20 0.35
ESR1 P03372 5/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 3/20 0.34
KAT2B Q92831 1/20 0.34
TSHR P16473 2/20 0.34
PDE3B Q13370 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
SCHEMBL2564891 0.84 PIK3CD (0.39) LMNAALDH1A1L3MBTL1NPY1RNPY2R
SCHEMBL13258405 0.82 PDE7A (0.38) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL13257579 0.78 PDE7A (0.38) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL13257650 0.77 LMNA (0.43) LMNAALDH1A1L3MBTL1NPY1RNPY2R
SCHEMBL13258403 0.71 ALDH1A1 (0.54) LMNAALDH1A1L3MBTL1NPY1RNPY2R
SCHEMBL13257621 0.71 APLNR (0.48) LMNAL3MBTL1ESR2ESR1MAPT
SCHEMBL2565109 0.70 FADS1 (0.47) LMNAALDH1A1RXFP1KDM4EMAPT
SCHEMBL2993770 0.69 FADS1 (0.36) LMNAALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL2990546 0.69 TSHR (0.40) LMNAALDH1A1RXFP1KDM4EMAPT
SCHEMBL13257600 0.69 MAPT (0.37) LMNAALDH1A1SMN1; SMN2MAPTTSHR

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-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed