SCHEMBL8039883

SCHEMBL8039883

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)OS(=O)(=O)O.[Mn]

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
KCNH2 Q12809 1/20 0.54
VNN1 O95497 13/20 0.48
ZDHHC20 Q5W0Z9 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
SCHEMBL3754662 0.99 PTGS1 (0.55) PTGS1KCNH2VNN1ZDHHC20
SCHEMBL29250117 0.97 PTGS1 (0.54) PTGS1KCNH2VNN1ZDHHC20
SCHEMBL28332287 0.96 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20
SCHEMBL28416351 0.84 PTGS1 (0.51) PTGS1KCNH2VNN1ZDHHC20
SCHEMBL28416349 0.84 PTGS1 (0.51) PTGS1KCNH2VNN1ZDHHC20
SCHEMBL10932748 0.82 PTGS1 (0.63) PTGS1KCNH2VNN1
SCHEMBL7016637 0.82 PTGS1 (0.63) PTGS1KCNH2VNN1ZDHHC20
SCHEMBL7524751 0.82 PTGS1 (0.63) PTGS1KCNH2VNN1
SCHEMBL7524756 0.82 PTGS1 (0.63) PTGS1KCNH2VNN1
SCHEMBL2458620 0.81 PTGS1 (0.61) PTGS1KCNH2VNN1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6039978-A HOMOGENOUS FREE-FLOWING POWDER FOOD ENHANCING AGENT WITH CALCIUM, MAGNESIUM PHOSPHOROUS USING DICALCIUM PHOSPHATE, CALCIUM CITRATE AND MAGNESIUM PHOSPHATE CAMPBELL SOUP COMPANY (US) 2000-03-21 US disclosed
US-6039989-A PREPACKAGED THERAPUTIC MEALS FOR DIETS CAMPBELL SOUP COMPANY (US) 2000-03-21 US disclosed
US-5994295-A ADMINISTERING PREPACKAGED MEALS CAMPBELL SOUP COMPANY (US) 1999-11-30 US disclosed
US-5977059-A THERAPY FOR DIET RESPONSIVE CONDITIONS CAMPBELL SOUP COMPANY (US) 1999-11-02 US disclosed