SCHEMBL5134015

SCHEMBL5134015

Cc1cn(COCCOC(=O)[C@H](C(C)C)N(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
TK1 P04183 7/20 0.45
UPP1 Q16831 1/20 0.41
TK2 O00142 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL4084198 0.81 CYP3A4 (0.47) HPGDTK1UPP1
SCHEMBL13723199 0.76 TYMP (0.45) HPGDTK1TK2MAPK1
SCHEMBL6722443 0.75 HPGD (0.68) HPGDTK1UPP1TK2MAPK1
SCHEMBL13724173 0.74 MEN1 (0.55) HPGDTK1TK2MAPK1
SCHEMBL4094755 0.74 TK1 (0.63) HPGDTK1UPP1TK2MAPK1
SCHEMBL5065503 0.73 EGFR (0.46) HPGDMAPK1
SCHEMBL13749275 0.73 TYMP (0.42) HPGDTK1MAPK1
Hydrochloric Acid SCHEMBL4094750 0.73 MAPK1 (0.55) HPGDTK1TK2MAPK1
SCHEMBL8444516 0.71 TYMP (0.49) HPGDTK1TK2MAPK1
SCHEMBL21522987 0.71 HPGD (0.62) HPGDTK1TK2MAPK1

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-2001488-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES Alt Solutions, Inc. (US) 2008-12-17 EP disclosed
WO-2007106561-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES ALT SOLUTIONS, INC. (US) 2007-09-20 WO disclosed