SCHEMBL382020

SCHEMBL382020

CC1OC(=O)C(C(=O)O)=C1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
ACP1 P24666 3/20 0.36
CDC25B P30305 3/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN2 P17706 1/20 0.36
DUSP3 P51452 1/20 0.36
HPSE Q9Y251 1/20 0.36
AKT1 P31749 1/20 0.35
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KAT2A Q92830 3/20 0.30

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
SCHEMBL8693083 0.83 KDM4E (0.36) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL257301 0.72
SCHEMBL9423146 0.72
SCHEMBL13092141 0.72
SCHEMBL18807726 0.67 AKT1 (0.32) MAPTAKT1KMT2A
SCHEMBL18807873 0.67 AKT1 (0.32) MAPTAKT1KMT2A
SCHEMBL18807722 0.67 AKT1 (0.32) MAPTAKT1KMT2A
SCHEMBL21664453 0.65 AKT1 (0.35) AKT1
SCHEMBL8911207 0.65 MEN1 (0.32) MAPTALDH1A1MEN1CYP3A4CASP1
SCHEMBL7363587 0.63 AKT1 (0.33) AKT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408765-B1 NOVEL METHOD FOR PRODUCING ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-01-23 EP disclosed
EP-2408765-A1 NOVEL METHOD FOR PRODUCING ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2012-01-25 EP disclosed
WO-2010105779-A1 NOVEL METHOD FOR PRODUCING ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2010-09-23 WO disclosed
EP-2230237-A1 New method for producing enaminocarbonyl compounds Bayer CropScience AG (DE) 2010-09-22 EP disclosed