SCHEMBL8439482

SCHEMBL8439482

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 15/20 0.52
P2RY6 Q15077 7/20 0.49
P2RY4 P51582 7/20 0.49
P2RY14 Q15391 3/20 0.46
ENPP1 P22413 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
SCHEMBL8439811 0.99 P2RY2 (0.51) P2RY2P2RY6P2RY4P2RY14ENPP1
SCHEMBL8439098 0.99 P2RY2 (0.51) P2RY2P2RY6P2RY4P2RY14ENPP1
SCHEMBL8436334 0.91 P2RY2 (0.54) P2RY2P2RY6P2RY4P2RY14ENPP1
SCHEMBL8441418 0.87 DUT (0.45) P2RY2P2RY6P2RY4
SCHEMBL8440845 0.86 DUT (0.44) P2RY2P2RY6P2RY4
SCHEMBL8435720 0.85 RNASEL (0.41) P2RY2P2RY6P2RY4P2RY14
SCHEMBL8437048 0.85 P2RY2 (0.58) P2RY2P2RY6P2RY4P2RY14ENPP1
SCHEMBL8439785 0.85 P2RY2 (0.53) P2RY2P2RY6P2RY4P2RY14ENPP1
SCHEMBL8440037 0.85 RNASEL (0.41) P2RY2P2RY6P2RY4P2RY14
SCHEMBL8437839 0.84 P2RY2 (0.61) P2RY2P2RY6P2RY4P2RY14

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