SCHEMBL16348294

SCHEMBL16348294

[N-]=[N+]=NCC(=O)NC(CCC(=O)NCO)(CCC(=O)NCO)CCC(=O)NCO

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL27463134 0.79
SCHEMBL29131548 0.78 CA2 (0.34) CA2CA9
SCHEMBL12595141 0.71 RECQL (0.35)
SCHEMBL18000406 0.70
SCHEMBL13595403 0.69 ALDH1A1 (0.36) CA2CA9
SCHEMBL18000448 0.68
SCHEMBL14709437 0.67
SCHEMBL28882696 0.67 EPHX2 (0.41)
SCHEMBL28882695 0.66 HPSE (0.35)
SCHEMBL21981211 0.65 CA2 (0.48) CA2CA9

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-7888536-B2 Selective and specific preparation of discrete PEG compounds QUANTA BIODESIGN, LTD. (US) 2011-02-15 US disclosed