SCHEMBL7048472

SCHEMBL7048472

CCN(CC)C(C)(C(=O)OC)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
DGAT1 O75907 1/20 0.32
PPIP5K2 O43314 1/20 0.31
PTPN1 P18031 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 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
SCHEMBL337595 0.71 MMP1 (0.34) MMP1MMP2MMP8MMP3DGAT1
SCHEMBL2236605 0.69 DGAT1 (0.35) MMP1MMP2MMP8MMP3DGAT1
SCHEMBL18262779 0.69 DGAT1 (0.41) DGAT1
SCHEMBL2238607 0.68 FDPS (0.45) MMP1MMP2MMP3PTPN1
SCHEMBL992 0.68 DGAT1 (0.41) MMP1MMP2MMP8MMP3DGAT1
SCHEMBL7048475 0.67 MMP1 (0.31) MMP1MMP2MMP8MMP3DGAT1
SCHEMBL2242180 0.67 FDPS (0.43) DGAT1
SCHEMBL9697626 0.66 DGAT1 (0.39) MMP1MMP2MMP8MMP3DGAT1
SCHEMBL1691823 0.65 FDPS (0.45) MMP1MMP2MMP3PTPN1
Hexane SCHEMBL27565209 0.65 FDPS (0.42)

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-0906015-A4 LIVER RETENTION CLEARING AGENTS NEORX CORP (US) 2004-05-12 EP disclosed
EP-0906015-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1999-04-07 EP disclosed
WO-1997046099-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1997-12-11 WO disclosed