SCHEMBL7261083

SCHEMBL7261083

CC(=O)COP(=O)(O)OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.53
MVD P53602 6/20 0.53
FNTA P49354 3/20 0.42
PGGT1B P53609 2/20 0.42
FNTB P49356 1/20 0.42
FDPS P14324 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL28361908 0.85 MVD (0.37) BTN3A1MVDTDP1
SCHEMBL160921 0.80
SCHEMBL22235266 0.80 BTN3A1 (0.66) BTN3A1MVDFNTAPGGT1BFNTB
SCHEMBL8442489 0.79 MVD (0.47) BTN3A1MVDFNTAPGGT1BFNTB
SCHEMBL17482402 0.79 PLA2G2A (0.39) BTN3A1MVD
SCHEMBL14993049 0.78 BTN3A1 (0.55) BTN3A1MVDFNTAPGGT1BFNTB
SCHEMBL16344753 0.78 BTN3A1 (0.55) BTN3A1MVDFNTAPGGT1BFNTB
SCHEMBL17502099 0.78 BTN3A1 (0.55) BTN3A1MVDFNTAPGGT1BFNTB
SCHEMBL23249660 0.78 TPI1 (0.50) BTN3A1
SCHEMBL23249688 0.78 TPI1 (0.50) BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003103668-A1 PYRIDIN-2-ONE AND QUINOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS ANTIBACTERIALS KARO BIO AB (SE) 2003-12-18 WO disclosed
CN-1244217-A Method for the production of 1,3-propanediol by recombinant organisms DU PONT (US) 2000-02-09 CN disclosed