SCHEMBL8439657

SCHEMBL8439657

CC(C)=CCC/C(C)=C/CC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.42
ENPP1 P22413 2/20 0.42
P2RX3 P56373 2/20 0.42
P2RX1 P51575 1/20 0.42
P2RY6 Q15077 1/20 0.42
P2RY11 Q96G91 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RY12 Q9H244 1/20 0.40
RNASEL Q05823 3/20 0.40
P2RX2 Q9UBL9 1/20 0.39
P2RY2 P41231 1/20 0.38
GPR17 Q13304 1/20 0.38

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
SCHEMBL8439414 0.99 P2RY1 (0.41) P2RY1ENPP1P2RX3P2RX1P2RY6
SCHEMBL8435235 0.99 P2RY1 (0.41) P2RY1ENPP1P2RX3P2RX1P2RY6
SCHEMBL8440992 0.92 P2RY1 (0.43) P2RY1ENPP1P2RX3P2RX1P2RY6
SCHEMBL8435672 0.90 P2RY2 (0.44) P2RY1P2RX3RNASELP2RX2P2RY2
SCHEMBL8441096 0.90 P2RY2 (0.43) P2RY1P2RX3RNASELP2RX2P2RY2
SCHEMBL8436367 0.90 P2RY2 (0.43) P2RY1P2RX3RNASELP2RX2P2RY2
SCHEMBL8435720 0.88 RNASEL (0.41) P2RY6RNASELP2RY2
SCHEMBL8440037 0.87 RNASEL (0.41) P2RY6RNASELP2RY2
SCHEMBL8435811 0.86 P2RY1 (0.44) P2RY1ENPP1P2RX3P2RX1P2RY6
SCHEMBL8440902 0.86 P2RY1 (0.42) P2RY1ENPP1P2RX3P2RX1P2RY6

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