SCHEMBL464791

SCHEMBL464791

Cc1cn([C@@H]2O[C@H](CO)C(O)=C2O)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALB P02768 2/20 0.56
BLM P54132 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
ADRA1A P35348 1/20 0.56
TK1 P04183 2/20 0.47
TYMP P19971 5/20 0.47
PKM P14618 1/20 0.46
PMP22 Q01453 1/20 0.46
TSHR P16473 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
SCHEMBL417308 0.78 LMNA (0.60) LMNAALBBLMALDH1A1POLB
SCHEMBL1417635 0.77 LMNA (0.62) LMNAALBBLMALDH1A1POLB
SCHEMBL11959609 0.77 LMNA (0.65) LMNAALBBLMALDH1A1POLB
SCHEMBL933552 0.76 LMNA (0.54) LMNAALBBLMALDH1A1POLB
SCHEMBL27841824 0.76 LMNA (0.56) LMNAALBBLMALDH1A1POLB
SCHEMBL27809547 0.75 LMNA (0.55) LMNAALBBLMALDH1A1POLB
SCHEMBL14232397 0.75 LMNA (0.55) LMNAALBBLMALDH1A1POLB
SCHEMBL30976665 0.75 LMNA (0.59) LMNAALBBLMALDH1A1POLB
SCHEMBL2158702 0.75 LMNA (0.55) LMNAALBBLMALDH1A1POLB
SCHEMBL30505858 0.74 LMNA (0.61) LMNAALBBLMALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
EP-1686113-B1 Inhibitors of aspartyl protease VERTEX PHARMA (US) 2011-11-23 EP claimed
EP-1569931-B1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-10-08 EP claimed
EP-1569647-B1 CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-08-20 EP claimed
EP-1569933-B1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-23 EP claimed
EP-1569934-B1 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP claimed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP claimed
EP-1027061-B1 IMINE-FORMING POLYSACCHARIDES, PREPARATION THEREOF AND THE USE THEREOF AS ADJUVANTS AND IMMUNOSTIMULANTS GALENICA PHARMACEUTICALS INC (US) 2005-05-25 EP claimed