SCHEMBL16612995

SCHEMBL16612995

O=c1oc(=O)oc2cccc3c4ccc(oc(=O)oc(=O)oc5ccc4c4cccc(o1)c54)c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PGAM1 P18669 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EGFR P00533 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM5A P29375 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
PTGS2 P35354 1/20 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
SCHEMBL8762664 0.83 MAOA (0.47) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL8018963 0.81 MAOA (0.46) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL891550 0.77 MAOA (0.68) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL856949 0.75 MAOA (0.38) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL10884192 0.73 MAOA (0.50) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL8744044 0.73 ESR2 (0.35) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL22601199 0.72 MAOA (0.61) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL6651310 0.71 GPR3 (0.45) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL24628122 0.71 MAOA (0.52) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL29367854 0.71 MAOA (0.52) MAOAKDM4EALDH1A1GLACYP3A4

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
EP-2692775-B1 POLYIMIDE, POLYIMIDE-BASED POLYMER ELECTROLYTE MEMBRANE, MEMBRANE- ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL NITTO DENKO CORP (JP) 2015-04-08 EP claimed