SCHEMBL8435720

SCHEMBL8435720

CC(C)=CCC/C(C)=C/CC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(C/C=C(\C)CCC=C(C)C)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 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RNASEL Q05823 4/20 0.41
P2RY2 P41231 12/20 0.41
P2RY6 Q15077 6/20 0.40
P2RY4 P51582 6/20 0.40
P2RY14 Q15391 3/20 0.40

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
SCHEMBL8440037 0.99 RNASEL (0.41) RNASELP2RY2P2RY6P2RY4P2RY14
SCHEMBL8439657 0.88 P2RY1 (0.42) RNASELP2RY2P2RY6
SCHEMBL8439414 0.87 P2RY1 (0.41) RNASELP2RY2P2RY6
SCHEMBL8435235 0.87 P2RY1 (0.41) RNASELP2RY2P2RY6
SCHEMBL8439482 0.85 P2RY2 (0.52) P2RY2P2RY6P2RY4P2RY14
SCHEMBL8439098 0.85 P2RY2 (0.51) P2RY2P2RY6P2RY4P2RY14
SCHEMBL8439811 0.85 P2RY2 (0.51) P2RY2P2RY6P2RY4P2RY14
SCHEMBL8440992 0.81 P2RY1 (0.43) RNASELP2RY2P2RY6
SCHEMBL8435672 0.79 P2RY2 (0.44) RNASELP2RY2
SCHEMBL8441409 0.79 TGM2 (0.48) P2RY2P2RY6P2RY4

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
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