SCHEMBL4600425

SCHEMBL4600425

C=CC(=O)Oc1c(OCCOC)cccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 5/20 0.46
EGFR P00533 1/20 0.42
KMT2A Q03164 3/20 0.40
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 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
SCHEMBL4600628 0.85 EGFR (0.47) MAPTALDH1A1EGFRKMT2AMEN1
SCHEMBL4600843 0.82 RAB9A (0.50) MAPTALDH1A1EGFRKMT2AMEN1
SCHEMBL25180670 0.78 ALDH1A1 (0.57) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4601601 0.76 EGFR (0.47) MAPTALDH1A1EGFRKMT2ASMN1; SMN2
SCHEMBL4600130 0.75 EGFR (0.47) ALDH1A1EGFRKMT2AMEN1SMN1; SMN2
SCHEMBL4602183 0.74 EGFR (0.47) MAPTEGFRKMT2AMEN1GAA
SCHEMBL4601033 0.73 EGFR (0.44) EGFR
SCHEMBL4602169 0.73 EGFR (0.41) ALDH1A1EGFRKMT2ASMN1; SMN2HPGD
SCHEMBL27716400 0.73 MAPT (0.42) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL226894 0.72 GAA (0.57) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed