Sugi Predict

Sugi Predict / Compounds / SCHEMBL7048475

SCHEMBL7048475

SCHEMBL7048475

CCN([C@](C)(CC)C(=O)OC)P(=O)(O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ GAA P10253 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
SCHEMBL18026356 0.72 DGAT1 (0.37) DGAT1
SCHEMBL3289374 0.70 FDPS (0.34) MMP1MMP2MMP3MMP8
SCHEMBL19805314 0.69 DGAT1 (0.34) DGAT1
SCHEMBL3287592 0.69 FDPS (0.37) MMP1MMP2MMP3MMP8
SCHEMBL337595 0.69 MMP1 (0.34) MMP1MMP2MMP3MMP8DGAT1
SCHEMBL2236605 0.67 DGAT1 (0.35) MMP1MMP2MMP3MMP8DGAT1
SCHEMBL7048472 0.67 MMP1 (0.33) MMP1MMP2MMP3MMP8DGAT1
SCHEMBL6088197 0.66 FDPS (0.34) MMP1MMP2MMP3MMP8
SCHEMBL23628722 0.64 DGAT1 (0.42) DGAT1
SCHEMBL26998813 0.64 DGAT1 (0.33) DGAT1

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