SCHEMBL8258715

SCHEMBL8258715

CCCC1=C(C)c2ccccc2C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.46
S100A4 P26447 3/20 0.46
CDC25A P30304 3/20 0.46
MAP2K7 O14733 1/20 0.46
DHODH Q02127 2/20 0.45
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
APAF1 O14727 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
CES2 O00748 1/20 0.44
TERT O14746 1/20 0.44

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
SCHEMBL571005 0.86 MAPT (0.53) CDC25BS100A4CDC25AMAP2K7MAPT
SCHEMBL14236650 0.81 DHODH (0.68) CDC25BS100A4CDC25AMAP2K7DHODH
SCHEMBL14307223 0.81 CDC25B (0.50) CDC25BS100A4CDC25AMAP2K7DHODH
SCHEMBL14190490 0.80 DHODH (0.41) CDC25BS100A4CDC25AMAP2K7DHODH
SCHEMBL14307224 0.76 FGFR1 (0.49) CDC25BS100A4CDC25AMAP2K7DHODH
SCHEMBL571120 0.76 PKM (0.54) CDC25BS100A4CDC25AMAP2K7MAPT
SCHEMBL5820368 0.75 MAPT (0.58) CDC25BS100A4CDC25AMAP2K7MAPT
SCHEMBL12761936 0.75 TBXAS1 (0.47) CDC25BS100A4CDC25AMAP2K7MAPT
SCHEMBL14160413 0.75 PTPN1 (0.39) CDC25BS100A4CDC25AMAP2K7DHODH
SCHEMBL572112 0.74 ALDH1A1 (0.56) CDC25BS100A4CDC25AMAP2K7MAPT

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-2006088315-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES MD BIOALPHA CO., LTD. (KR) 2006-08-24 WO disclosed