SCHEMBL6463410

SCHEMBL6463410

CCCCCCCCCCCCCCCC1=NC(C)(C)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 8/20 0.36
CDC25A P30304 6/20 0.36
CDC25C P30307 5/20 0.36
ALOX5 P09917 9/20 0.33
MPEG1 Q2M385 7/20 0.33
PTPN1 P18031 3/20 0.33
XIAP P98170 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
ACP1 P24666 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PTGES O14684 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2494925 0.98 CDC25B (0.33) CDC25BCDC25ACDC25CALOX5MPEG1
SCHEMBL7752907 0.93
SCHEMBL7220404 0.80 CDC25A (0.33) CDC25BCDC25ACDC25CALOX5MPEG1
SCHEMBL1825864 0.73
SCHEMBL24564939 0.71 DAGLA (0.33) CDC25BPTPN1GPR84ACP1
SCHEMBL13783711 0.71
SCHEMBL1131729 0.69 ACHE (0.39) CDC25BPTPN1ACP1ALDH1A1ACHE
SCHEMBL9787850 0.67 LPL (0.33) KDM4EALDH1A1
SCHEMBL10491816 0.67 LPL (0.33) KDM4EALDH1A1
SCHEMBL9787852 0.67 LPL (0.33) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906158-B2 Compositions and methods of vinyl oxazolone polymerization IRM, LLC (BM) 2005-06-14 US disclosed
US-20040242840-A1 Compositions and methods of vinyl oxazolone polymerization IRM, LLC 2004-12-02 US disclosed
WO-2004081538-A2 COMPOSITIONS AND METHODS OF VINYL OXAZOLONE POLYMERIZATION IRM, LLC 2004-09-23 WO disclosed