SCHEMBL880842

SCHEMBL880842

N[C@@H](C=O)O[C@@H](C=O)CO

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.36
AKR1B1 P15121 1/20 0.35

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
SCHEMBL19146945 0.76
SCHEMBL8745985 0.73
SCHEMBL19146338 0.73 ALDH1A1 (0.35)
SCHEMBL20256972 0.71 AKR1B1 (0.35) AHCYAKR1B1
SCHEMBL19660577 0.71 AKR1B1 (0.35) AHCYAKR1B1
SCHEMBL17589372 0.71 AKR1B1 (0.35) AHCYAKR1B1
SCHEMBL14389187 0.70 AKR1B1 (0.39) AHCYAKR1B1
SCHEMBL17309109 0.70 AKR1B1 (0.33) AHCYAKR1B1
SCHEMBL18532037 0.68 AKR1B1 (0.37) AHCYAKR1B1
SCHEMBL3503633 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1870417-B9 Peptide acceptor ligation methods BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
EP-1870417-B1 Peptide acceptor ligation methods BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed