SCHEMBL18985288

SCHEMBL18985288

CC(C)CC(C(=O)O)(C(C)C)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
ANPEP P15144 4/20 0.30
LAP3 P28838 3/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL8528026 0.81 FOLH1 (0.40) FDPS
SCHEMBL22701 0.72 FDPS (0.34) FDPSGRM3LAP3
SCHEMBL6237312 0.71 GCLC (0.33) FDPSGRM3
SCHEMBL11338517 0.71 FDPS (0.33) FDPSGRM3
SCHEMBL2990247 0.69 MMP1 (0.34) FDPSMMP1MMP8LAP3
SCHEMBL6824797 0.69 GRM3 (0.37) GRM3
SCHEMBL9787461 0.69 FDPS (0.41) FDPSMMP1MMP8ANPEPLAP3
SCHEMBL11434130 0.67 FDPS (0.44) FDPSMMP1MMP8ANPEPLAP3
SCHEMBL19211979 0.67 FDPS (0.44) FDPSMMP1MMP8ANPEPLAP3
SCHEMBL11334476 0.67 GRM4 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017100849-A1 6-OXOPURINE PHOSPHORIBOSYL TRANSFERASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2017-06-22 WO disclosed