SCHEMBL6650860

SCHEMBL6650860

O=C(O)CC(O)(C(=O)O)C(O[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.47
ACLY P53396 1/20 0.47
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
ALDH1A1 P00352 1/20 0.33
GSR P00390 1/20 0.33

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
SCHEMBL4657489 0.74 ACLY (0.53) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL2183672 0.74 ACLY (0.53) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL28101431 0.73 ACLY (0.52) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL8567208 0.71 CPT2 (0.50) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL8439897 0.71 ACLY (0.55) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL636991 0.70 GSR (0.32) GSR
SCHEMBL636990 0.70 GSR (0.32) GSR
SCHEMBL11066096 0.69 CPT2 (0.47) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL2190166 0.66 ACLY (0.64) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL17181757 0.65 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1

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
EP-1423011-A1 A BIOINOCULANT COMPOSITION COMPRISING BACTERIAL STRAINS OF B.SUBTILIS OR B.LENTIMORBUS FROM COW'S MILK Council of Scientific and Industrial Research (IN) 2004-06-02 EP claimed
WO-2003020038-A1 A BIOINOCULANT COMPOSITION COMPRISING BACTERIAL STRAINS OF B.SUBTILIS OR B.LENTIMORBUS FROM COW'S MILK COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-03-13 WO claimed