SCHEMBL11408293

SCHEMBL11408293

CCC(CC(N)(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.48
SMPD1 P17405 2/20 0.42
LAP3 P28838 1/20 0.41
METAP1 P53582 2/20 0.35
GRM4 Q14833 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 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
SCHEMBL12609291 0.78 LAP3 (0.42) FDPSLAP3METAP1GRM4
SCHEMBL6424687 0.77
SCHEMBL779311 0.74 LAP3 (0.44) FDPSLAP3METAP1
SCHEMBL316162 0.74
SCHEMBL15397900 0.73 FDPS (0.50) FDPSSMPD1LAP3GRM4ANPEP
Bromide SCHEMBL15397818 0.71 FDPS (0.48) FDPSSMPD1LAP3GRM4ANPEP
SCHEMBL328801 0.71 FDPS (0.61) FDPSSMPD1LAP3ANPEPERAP2
SCHEMBL11600061 0.71 LAP3 (0.37) FDPSLAP3METAP1
SCHEMBL7899243 0.69 FDPS (0.53) FDPSSMPD1LAP3
SCHEMBL10028827 0.69 LAP3 (0.35) FDPSLAP3METAP1

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
US-4216163-A SEQUESTERING AGENTS BENCKISER-KNAPSACK GMBH (DE) 1980-08-05 US claimed