SCHEMBL6677921

SCHEMBL6677921

[CH2]C(C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](CO)[C@H]1OP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.54
▸ NOD2 Q9HC29 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ TLR4 O00206 3/20 0.39
▸ LY96 Q9Y6Y9 1/20 0.39
▸ LGALS3 P17931 1/20 0.38
▸ AMDHD2 Q9Y303 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL769616 0.87 MAPK1 (0.55) MAPK1NOD2ALDH1A1THRBTLR4
SCHEMBL61395 0.83 MAPK1 (0.75) MAPK1NOD2ALDH1A1THRBLGALS3
SCHEMBL31076211 0.82 MAPK1 (0.62) MAPK1NOD2ALDH1A1THRBLGALS3
SCHEMBL31076331 0.82 MAPK1 (0.62) MAPK1NOD2ALDH1A1THRBLGALS3
SCHEMBL16644661 0.82 MAPK1 (0.52) MAPK1ALDH1A1THRBTLR4LY96
SCHEMBL21985823 0.82 MAPK1 (0.52) MAPK1ALDH1A1THRBTLR4LY96
SCHEMBL16640643 0.82 MAPK1 (0.52) MAPK1ALDH1A1THRBTLR4LY96
SCHEMBL22053386 0.82 MAPK1 (0.52) MAPK1ALDH1A1THRBTLR4LY96
SCHEMBL22204677 0.75 MAPK1 (0.44) MAPK1ALDH1A1THRBTLR4LY96
SCHEMBL16640655 0.73 MAPK1 (0.51) MAPK1NOD2ALDH1A1THRBLGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171631-B1 ASSAY FOR DETECTING PHOSPHO-N-ACETYLMURAMYL-PENTAPEPTIDE TRANSLOCASE ACTIVITY ASTRAZENECA AB (SE) 2004-10-13 — — EP disclosed
US-6537770-B1 Assay for detecting phospho-N-acetylmuramyl-pentapeptide translocase activity ASTRAZENECA AB (SE) 2003-03-25 — — US disclosed
EP-1292701-A1 ASSAY FOR DETECTION OF TRANSFERASE ENZYME ACTIVITY IN DRUG SCREENING AstraZeneca AB (SE) 2003-03-19 — — EP disclosed
EP-1292702-A1 ASSAY FOR DETECTION OF TRANSLOCASE ENZYME ACTIVITY IN DRUG SCREENING AstraZeneca AB (SE) 2003-03-19 — — EP disclosed
EP-1171631-A1 ASSAY FOR DETECTING PHOSPHO-N-ACETYLMURAMYL-PENTAPEPTIDE TRANSLOCASE ACTIVITY AstraZeneca AB (SE) 2002-01-16 — — EP disclosed
WO-2001094622-A1 ASSAY FOR DETECTION OF TRANSFERASE ENZYME ACTIVITY IN DRUG SCREENING ASTRAZENECA AB (SE) 2001-12-13 — — WO disclosed
WO-2001094623-A1 ASSAY FOR DETECTION OF TRANSLOCASE ENZYME ACTIVITY IN DRUG SCREENING ASTRAZENECA AB (SE) 2001-12-13 — — WO disclosed
WO-2000065087-A1 ASSAY FOR DETECTING PHOSPHO-N-ACETYLMURAMYL-PENTAPEPTIDE TRANSLOCASE ACTIVITY ASTRAZENECA AB (SE) 2000-11-02 — — WO disclosed
WO-2000044335-A2 URIDYL PEPTIDE ANTIBIOTIC (UPA) DERIVATIVES, THEIR SYNTHESIS AND USE MICROCIDE PHARMACEUTICALS, INC. (US) 2000-08-03 — — WO disclosed
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