SCHEMBL5347297

SCHEMBL5347297

CCCCCCCCCCCCCCCC(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COC(=O)CCCCCCCCCCCCCCC)O2)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.55
ALDH1A1 P00352 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
F2 P00734 1/20 0.43
P2RY2 P41231 1/20 0.41
P2RY4 P51582 1/20 0.41
P2RY6 Q15077 1/20 0.41
TYMP P19971 1/20 0.41
HINT1 P49773 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 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
SCHEMBL5354398 0.92 KDM4E (0.57) POLA1ALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL5353324 0.92 ALDH1A1 (0.51) POLA1ALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL5360791 0.92 ALDH1A1 (0.51) POLA1ALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL5359289 0.92 ALDH1A1 (0.51) POLA1ALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL8445692 0.90 POLA1 (0.67) POLA1ALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL5361588 0.90 POLA1 (0.67) POLA1ALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL5364897 0.87 POLB (0.60) POLA1POLBF2P2RY2P2RY4
SCHEMBL5357283 0.87 POLB (0.60) POLA1POLBF2P2RY2P2RY4
SCHEMBL5352650 0.87 POLB (0.60) POLA1POLBF2P2RY2P2RY4
SCHEMBL5352210 0.87 POLB (0.60) POLA1POLBF2P2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307166-B1 Oxpurine nucleosides and their congeners, and acyl, derivatives thereof, for improvement of hematopoiesis WELLSTAT THERAPEUTICS CORPORATION (US) 2007-12-11 US disclosed
EP-1157698-A2 Treatment of inflammatory diseases with oxypurine nucleosides PRO-NEURON, INC. (US) 2001-11-28 EP disclosed
EP-0771204-A1 METHODS FOR TREATING SEPSIS OR INFLAMMATORY DISEASES WITH OXYPURINE NUCLEOSIDES PRO-NEURON, INC. (US) 1997-05-07 EP disclosed