SCHEMBL8046435

SCHEMBL8046435

CC(C)(C)Cn1c(-c2oc(O)cc2[P@@](=O)(O)OC2CCCCC2)nc2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 16/20 0.54
TRPM2 O94759 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HSPA5 P11021 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
SCHEMBL8046490 0.84 FBP1 (0.55) FBP1TRPM2
SCHEMBL7208139 0.69 FBP1 (0.54) FBP1TRPM2
SCHEMBL13741964 0.68 FBP1 (1.00) FBP1
SCHEMBL4955833 0.66 FBP1 (0.65) FBP1
SCHEMBL4955818 0.65 FBP1 (0.52) FBP1
SCHEMBL14237111 0.63 FBP1 (0.61) FBP1
SCHEMBL5368083 0.63 FBP1 (0.65) FBP1
SCHEMBL5368090 0.62 FBP1 (0.54) FBP1
SCHEMBL8051443 0.62 FBP1 (0.67) FBP1
SCHEMBL5363823 0.60 FBP1 (0.51) FBP1SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed