SCHEMBL2494925

SCHEMBL2494925

CCCCCC1=NC(C)(C)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 8/20 0.33
CDC25A P30304 6/20 0.33
CDC25C P30307 5/20 0.33
ALOX5 P09917 9/20 0.30
MPEG1 Q2M385 7/20 0.30
PTPN1 P18031 3/20 0.30
XIAP P98170 2/20 0.30
GPR84 Q9NQS5 2/20 0.30
ACP1 P24666 2/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
PTGES O14684 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 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
SCHEMBL6463410 0.98 CDC25B (0.36) CDC25BCDC25ACDC25CALOX5MPEG1
SCHEMBL7752907 0.90
SCHEMBL7752813 0.84 TP53 (0.31) PTPN1KDM4EMEN1TP53MAPT
SCHEMBL7220404 0.81 CDC25A (0.33) CDC25BCDC25ACDC25CALOX5MPEG1
SCHEMBL6698827 0.76 TP53 (0.31) PTPN1KDM4EMEN1TP53MAPT
SCHEMBL1825864 0.74
SCHEMBL13783711 0.72
SCHEMBL1131729 0.70 ACHE (0.39) CDC25BPTPN1ACP1ALDH1A1
SCHEMBL24564939 0.69 DAGLA (0.33) CDC25BPTPN1GPR84ACP1
SCHEMBL19795028 0.67 ALDH1A1 (0.31) CDC25BCDC25ACDC25CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370113-A1 PACKAGING SOLUTIONS Bausch & Lomb Incorporated (US) 2011-10-05 EP claimed
WO-2010078150-A1 PACKAGING SOLUTIONS BAUSCH & LOMB INCORPORATED (US) 2010-07-08 WO claimed