SCHEMBL15948839

SCHEMBL15948839

C[C@H](F)[C@@H](O[C@@H](C)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1ccc(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 14/20 0.42
P2RY4 P51582 10/20 0.42
POLA1 P09884 1/20 0.42
ENPP1 P22413 1/20 0.41
P2RY6 Q15077 9/20 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
SCHEMBL15948840 0.84 P2RY2 (0.41) P2RY2P2RY4POLA1ENPP1P2RY6
SCHEMBL25712429 0.84 P2RY2 (0.44) P2RY2P2RY4POLA1ENPP1P2RY6
SCHEMBL15948845 0.80 POLG (0.43) P2RY2P2RY4ENPP1P2RY6
SCHEMBL25580928 0.78 P2RY2 (0.45) P2RY2P2RY4POLA1ENPP1P2RY6
SCHEMBL22475106 0.78 P2RY2 (0.43) P2RY2P2RY4POLA1ENPP1P2RY6
SCHEMBL18474904 0.78 ENPP1 (0.44) P2RY2P2RY4POLA1ENPP1P2RY6
SCHEMBL16224817 0.76 P2RY2 (0.42) P2RY2P2RY4POLA1ENPP1P2RY6
SCHEMBL24058569 0.76 P2RY2 (0.38) P2RY2P2RY4POLA1ENPP1P2RY6
SCHEMBL18877153 0.75 P2RY2 (0.42) P2RY2P2RY4POLA1ENPP1P2RY6
SCHEMBL22475027 0.75 P2RY2 (0.44) P2RY2P2RY4POLA1ENPP1P2RY6

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-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 WO disclosed