SCHEMBL8936683

SCHEMBL8936683

O=c1[nH]c(=O)n(C2CC[C@@H](CO)O2)cc1-c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.53
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
MAPK1 P28482 1/20 0.40
TYMS P04818 1/20 0.39
RNASE1 P07998 1/20 0.39

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
SCHEMBL8936634 1.00 P2RY2 (0.53) P2RY2ALDH1A1LMNAALBMAPK1
SCHEMBL8936583 1.00 P2RY2 (0.53) P2RY2ALDH1A1LMNAALBMAPK1
SCHEMBL3409773 0.82 P2RY2 (0.52) P2RY2LMNATYMS
SCHEMBL3409776 0.82 P2RY2 (0.52) P2RY2LMNATYMS
SCHEMBL3412982 0.82 P2RY2 (0.52) P2RY2LMNATYMS
SCHEMBL1635432 0.81 LMNA (0.61) P2RY2LMNA
SCHEMBL30698162 0.81 LMNA (0.61) P2RY2LMNA
SCHEMBL1635430 0.81 LMNA (0.61) P2RY2LMNA
SCHEMBL8936552 0.81 LMNA (0.61) P2RY2LMNA
SCHEMBL8936590 0.78 P2RY2 (0.42) P2RY2TYMSRNASE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576429-A HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRICIDE; ANTITUMOR AGENT MEDIVIR AB (SE) 1996-11-19 US disclosed
EP-0357571-B1 Pyrimidine nucleosides MEDIVIR AB (SE) 1996-04-03 EP disclosed
EP-0691333-A2 Pyrimidine derivatives, process for their preparation and their use as precursors Medivir Aktiebolag (SE) 1996-01-10 EP disclosed
EP-0357571-A2 Pyrimidine nucleosides Medivir Aktiebolag (SE) 1990-03-07 EP disclosed
WO-1989012061-A1 PYRIMIDINE NUCLEOSIDES AND INTERMEDIATES MEDIVIR AB (SE) 1989-12-14 WO disclosed