SCHEMBL4194754

SCHEMBL4194754

Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)COc3ccccc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
TK1 P04183 1/20 0.54
RNASE1 P07998 1/20 0.54
BCHE P06276 1/20 0.53

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
SCHEMBL8424933 0.90 POLB (0.61) POLBTK1BCHE
SCHEMBL11201855 0.86 CYP1A2 (0.64) TK1
SCHEMBL11201852 0.86 CYP1A2 (0.64) TK1
SCHEMBL11199967 0.86 CYP1A2 (0.64) TK1
SCHEMBL11201854 0.86 CYP1A2 (0.64) TK1
SCHEMBL11301358 0.86 RNASE1 (0.53) TK1RNASE1
SCHEMBL8744206 0.85 POLB (0.57) POLBTK1BCHE
SCHEMBL21886800 0.85 RNASE1 (0.67) POLBTK1RNASE1BCHE
SCHEMBL21886792 0.85 RNASE1 (0.67) POLBTK1RNASE1BCHE
SCHEMBL4731694 0.85 RNASE1 (0.67) POLBTK1RNASE1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56113794-A None JP disclosed
US-20090170816-A1 COMBINATION COMPRISING SQUALENE, A PHOSPHOLIPID AND AN OMEGA 3 FATTY ACID FOR THE TREATMENT OF CANCER FARMALEIS S.L. (ES) 2009-07-02 US disclosed
EP-1954255-A1 A COMBINATION COMPRISING SQUALENE, A PHOSPHOLIPID AND AN OMEGA 3 FATTY ACID FOR THE TREATMENT OF CANCER Farmaleis, S.L. (ES) 2008-08-13 EP disclosed
WO-2007057090-A1 A COMBINATION COMPRISING SQUALENE, A PHOSPHOLIPID AND AN OMEGA 3 FATTY ACID FOR THE TREATMENT OF CANCER FARMALEIS, S.L. (ES) 2007-05-24 WO disclosed
JP-S56113794-A CARCINOSTATIC AGENT AND ITS PREPARATION NISSEI MARINE KOGYO KK 1981-09-07 JP disclosed