SCHEMBL8439487

SCHEMBL8439487

CC(C)=CCCC(C)=CC[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 12/20 0.49
P2RY4 P51582 7/20 0.49
P2RY6 Q15077 12/20 0.47
POLA1 P09884 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
SCHEMBL8439812 0.99 P2RY2 (0.48) P2RY2P2RY4P2RY6POLA1
SCHEMBL8440653 0.93 P2RY2 (0.54) P2RY2P2RY4P2RY6POLA1
SCHEMBL8435726 0.90 P2RY2 (0.41) P2RY2P2RY4P2RY6POLA1
SCHEMBL8437049 0.85 P2RY2 (0.53) P2RY2P2RY4P2RY6POLA1
SCHEMBL8441421 0.85 P2RY6 (0.49) P2RY2P2RY4P2RY6POLA1
SCHEMBL8437841 0.84 P2RY2 (0.59) P2RY2P2RY4P2RY6POLA1
SCHEMBL8440847 0.84 P2RY6 (0.49) P2RY2P2RY4P2RY6POLA1
SCHEMBL8440331 0.84 P2RY2 (0.53) P2RY2P2RY4P2RY6POLA1
SCHEMBL1457065 0.84 P2RY2 (0.54) P2RY2P2RY4P2RY6POLA1
SCHEMBL31381447 0.83 P2RY14 (0.56) P2RY2P2RY4P2RY6POLA1

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
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US claimed
US-5639653-A ADMINISTERING MONOALKYL- OR ALKENYL-PYROPHOSPHATE TO MAMMAL TO STIMULATE LYMPHOCYTE CELL GROWTH AND ENHANCE IMMUNE RESPONSE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A DIVISION OF YESHIVA UNIVERSTIY (US) 1997-06-17 US disclosed