SCHEMBL8510295

SCHEMBL8510295

CCC(N)CCNP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1O)OP(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
ENPP1 P22413 4/20 0.59
P2RY1 P47900 3/20 0.59
DTYMK P23919 4/20 0.49
NT5E P21589 1/20 0.48
P2RX1 P51575 2/20 0.48
P2RX3 P56373 2/20 0.48
DNPH1 O43598 1/20 0.46
PRKAB2 O43741 1/20 0.46
TRPM2 O94759 1/20 0.46
LDHA P00338 1/20 0.46
ADRB2 P07550 1/20 0.46
FBP1 P09467 1/20 0.46
SRC P12931 1/20 0.46
ADORA1 P30542 1/20 0.46
P2RY2 P41231 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PDE4D Q08499 1/20 0.46
KCNH2 Q12809 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
SCHEMBL8509317 0.95 POLB (0.61) POLBENPP1P2RY1DTYMKNT5E
Pyrophosphoric Acid SCHEMBL8510288 0.94 POLB (0.68) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL8510470 0.93 POLB (0.64) POLBENPP1P2RY1DTYMKNT5E
Pyrophosphoric Acid SCHEMBL8509306 0.89 POLB (0.65) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL8586784 0.88 POLB (0.67) POLBENPP1P2RY1DTYMKNT5E
Pyrophosphoric Acid SCHEMBL8510453 0.87 POLB (0.68) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL14365017 0.84 POLB (0.70) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL15807652 0.81 POLB (0.71) POLBENPP1P2RY1DTYMKNT5E
Pyrophosphoric Acid SCHEMBL8586780 0.81 POLB (0.71) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL24137239 0.80 POLB (0.76) POLBENPP1P2RY1DTYMKNT5E

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-5965106-A ADMINISTERING TARGETING MOIETY COUPLED TO AFFINITY COMPONENT, WHEREIN TARGETING MOIETY HAS AFFINITY FOR BINDING SITES IN TARGET AREA, AND BINDING PARTNER TO AFFINITY COMPONENT COUPLED TO FUNCTIONAL MOIETY TO LOCALIZE FUNCTIONAL MOIETY IN TARGET PERIMMUNE HOLDINGS, INC. (US) 1999-10-12 US disclosed