SCHEMBL13689290

SCHEMBL13689290

CCCC1=C(C)C(=O)NC1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GLA P06280 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
SCHEMBL8443626 0.87 PTPN2 (0.35) PTPN2PTPN1CDC25B
SCHEMBL1535486 0.86 ALDH1A1 (0.42) PTPN2PTPN1CDC25BALDH1A1MAPT
SCHEMBL3178994 0.85 GLA (0.36) GLA
SCHEMBL1535496 0.85 ALDH1A1 (0.49) CDC25BALDH1A1MAPTTHRBTDP1
SCHEMBL4654368 0.83 ALDH1A1 (0.51) CDC25BALDH1A1MAPTTHRBTDP1
SCHEMBL8439720 0.83 ALDH1A1 (0.51) CDC25BALDH1A1MAPTTHRBTDP1
SCHEMBL8438882 0.83 ALDH1A1 (0.51) CDC25BALDH1A1MAPTTHRBTDP1
SCHEMBL5970520 0.83 ALDH1A1 (0.51) CDC25BALDH1A1MAPTTHRBTDP1
SCHEMBL5722122 0.83 ALDH1A1 (0.51) CDC25BALDH1A1MAPTTHRBTDP1
SCHEMBL187581 0.83 ALDH1A1 (0.51) CDC25BALDH1A1MAPTTHRBTDP1

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-2009108484-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GE HEALTHCARE LIMITED (GB) 2009-09-03 — — WO disclosed
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