SCHEMBL21539918

SCHEMBL21539918

CC(C)(C)C(=O)OCSP(=O)(O)OCC1CCC(n2cnc3c(N)ncnc32)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 5/20 0.47
BCHE P06276 1/20 0.47
EZH2 Q15910 1/20 0.46
POLB P06746 1/20 0.44
P2RY1 P47900 4/20 0.43
P2RY2 P41231 3/20 0.43
SRC P12931 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DNPH1 O43598 1/20 0.43
PRKAB2 O43741 1/20 0.43
TRPM2 O94759 1/20 0.43
LDHA P00338 1/20 0.43
ADRB2 P07550 1/20 0.43
FBP1 P09467 1/20 0.43
ADORA1 P30542 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
PRKAA1 Q13131 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
SCHEMBL9407394 0.86 BCHE (0.55) STING1BCHEALDH1A1
SCHEMBL9407393 0.86 BCHE (0.55) STING1BCHEALDH1A1
SCHEMBL21540011 0.85 ALDH1A1 (0.42) STING1EZH2POLBP2RY1ALDH1A1
SCHEMBL21343491 0.85 BCHE (0.52) BCHEEZH2POLBP2RY1P2RY2
SCHEMBL22352137 0.85 BCHE (0.52) BCHEEZH2POLBP2RY1P2RY2
SCHEMBL22351989 0.85 BCHE (0.52) BCHEEZH2POLBP2RY1P2RY2
SCHEMBL18822991 0.83 POLB (0.51) BCHEEZH2POLBP2RY1P2RY2
SCHEMBL21251592 0.82 BCHE (0.53) BCHEPOLBP2RY1P2RY2SRC
SCHEMBL21894145 0.82 BCHE (0.53) BCHEPOLBP2RY1P2RY2SRC
SCHEMBL19636108 0.82 BCHE (0.53) BCHEPOLBP2RY1P2RY2SRC

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
EP-3233882-B1 FLUORINATED CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2019-10-30 EP disclosed