SCHEMBL8438447

SCHEMBL8438447

CCC(C)=CCC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.50
NT5E P21589 1/20 0.49
FUT5 Q11128 1/20 0.49
KRAS P01116 2/20 0.48
HINT1 P49773 3/20 0.48
P2RY2 P41231 1/20 0.45
P2RY4 P51582 1/20 0.45
P2RY6 Q15077 1/20 0.45
POLB P06746 1/20 0.44
IMPDH2 P12268 2/20 0.44
IMPDH1 P20839 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
DCPS Q96C86 1/20 0.44
STING1 Q86WV6 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL8441409 0.92 TGM2 (0.48) TGM2NT5EFUT5KRASHINT1
SCHEMBL8441065 0.92 TGM2 (0.48) TGM2NT5EFUT5KRASHINT1
SCHEMBL8439151 0.92 TGM2 (0.48) TGM2NT5EFUT5KRASHINT1
SCHEMBL8435618 0.89 TGM2 (0.55) TGM2NT5EFUT5KRASHINT1
SCHEMBL8441055 0.89 KRAS (0.55) TGM2NT5EFUT5KRASHINT1
SCHEMBL8441740 0.89 TGM2 (0.49) TGM2NT5EFUT5KRASHINT1
SCHEMBL8436532 0.88 TGM2 (0.54) TGM2NT5EFUT5KRASHINT1
SCHEMBL8440067 0.87 FUT5 (0.53) TGM2NT5EFUT5KRASHINT1
SCHEMBL8440912 0.86 TGM2 (0.52) TGM2NT5EFUT5KRASHINT1
SCHEMBL8440992 0.85 P2RY1 (0.43) P2RY2P2RY6

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