SCHEMBL5548513

SCHEMBL5548513

CCCCC(CC)CC(C)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
FDPS P14324 7/20 0.44
CA2 P00918 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.38
GGPS1 O95749 2/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL8548552 0.83 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL2469449 0.83 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL7899243 0.80 FDPS (0.53) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL11422915 0.79 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL2776464 0.78 GGPS1 (0.47) CYP3A4L3MBTL1FDPSGGPS1
SCHEMBL3177920 0.77 CYP3A4 (0.42) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL27511110 0.77 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL37425 0.77 FDPS (0.49) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL9929763 0.77 GGPS1 (0.46) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL31037548 0.77 GGPS1 (0.46) CYP3A4L3MBTL1FDPSGGPS1

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
EP-1499412-A4 MULTICOLUMN SELECTIVITY INVERSION GENERATOR FOR PRODUCTION OF ULTRAPURE RADIONUCLIDES PG RES FOUNDATION (US) 2007-07-11 EP disclosed
EP-1499412-A1 MULTICOLUMN SELECTIVITY INVERSION GENERATOR FOR PRODUCTION OF ULTRAPURE RADIONUCLIDES PG Research Foundation (US) 2005-01-26 EP disclosed
WO-2003086569-A1 MULTICOLUMN SELECTIVITY INVERSION GENERATOR FOR PRODUCTION OF ULTRAPURE RADIONUCLIDES PG RESEARCH FOUNDATION (US) 2003-10-23 WO disclosed