SCHEMBL8440658

SCHEMBL8440658

CC(C)=CC[C@]1(n2ccc(=O)[nH]c2=O)C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 12/20 0.54
P2RY2 P41231 12/20 0.52
P2RY4 P51582 8/20 0.52
POLA1 P09884 1/20 0.49

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
SCHEMBL8441421 0.93 P2RY6 (0.49) P2RY6P2RY2P2RY4POLA1
SCHEMBL8440847 0.92 P2RY6 (0.49) P2RY6P2RY2P2RY4POLA1
SCHEMBL4619794 0.91 P2RY6 (0.55) P2RY6P2RY2P2RY4POLA1
SCHEMBL95680 0.90 P2RY6 (0.54) P2RY6P2RY2P2RY4POLA1
SCHEMBL8436036 0.90 P2RY6 (0.58) P2RY6P2RY2P2RY4POLA1
SCHEMBL28293726 0.89 P2RY6 (0.58) P2RY6P2RY2P2RY4POLA1
SCHEMBL8441389 0.88 P2RY6 (0.56) P2RY6P2RY2P2RY4POLA1
SCHEMBL8440615 0.87 P2RY6 (0.53) P2RY6P2RY2P2RY4POLA1
SCHEMBL4348236 0.86 P2RY6 (0.54) P2RY6P2RY2P2RY4POLA1
SCHEMBL8437011 0.86 P2RY6 (0.54) P2RY6P2RY2P2RY4POLA1

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-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-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 disclosed
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