SCHEMBL13824645

SCHEMBL13824645

CCCCOC(=O)NCCCP(=O)(O)OCC

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.58
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL13824579 0.86 ACHE (0.64) ACHE
SCHEMBL13824643 0.85 ACHE (0.55) ACHECA12CA1CA2CA9
SCHEMBL8591415 0.82 ACHE (0.64) ACHE
SCHEMBL10939707 0.80 ACHE (0.81) ACHE
SCHEMBL7569673 0.80 ACHE (0.81) ACHE
SCHEMBL3975468 0.80 ACHE (0.88) ACHE
SCHEMBL31722527 0.80 ACHE (0.59) ACHE
SCHEMBL8589912 0.79 ACHE (0.59) ACHECA12CA1CA2CA9
SCHEMBL473236 0.78 ACHE (0.85) ACHE
SCHEMBL7785857 0.78 ACHE (0.85) ACHE

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-2012150866-A1 PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF INDUSTRIAL RESEARCH LIMITED (NZ) 2012-11-08 WO disclosed