SCHEMBL13413679

SCHEMBL13413679

O=C(OCCn1c(=O)n(CCOC(=O)N(CO)CO)c(=O)n(CCOC(=O)N(CO)CO)c1=O)N(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 2/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ADORA2B P29275 1/20 0.31

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
SCHEMBL13413698 0.86
SCHEMBL13413681 0.85 ALDH1A1 (0.34) ALDH1A1GAAPOLBNPSR1KDM4E
SCHEMBL13413691 0.82 ALDH1A1 (0.33) ALDH1A1GAAPOLBNPSR1
SCHEMBL13413690 0.82 ALDH1A1 (0.33) ALDH1A1GAAPOLBNPSR1
SCHEMBL13413684 0.78 CHRNB2 (0.50) ALDH1A1GAAPOLBNPSR1KDM4E
SCHEMBL13413677 0.77 MEN1 (0.32)
SCHEMBL13413702 0.74 CCR6 (0.30)
SCHEMBL13451915 0.73 CHRNB2 (0.43) ALDH1A1GAAADORA2B
SCHEMBL13413686 0.73 CREBBP (0.40) ALDH1A1GAAKDM4E
SCHEMBL11332492 0.72 TSHR (0.41)

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
US-20100071574-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed