SCHEMBL9987918

SCHEMBL9987918

CC(N)c1ccc(OCC2CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.45
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
PARP2 Q9UGN5 1/20 0.43
ACACA Q13085 1/20 0.42
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2945130 1.00 ACACB (0.45) ACACBPARP15PARP10PARP2ACACA
Hydrochloric Acid SCHEMBL2139079 0.98 ACACB (0.44) ACACBPARP15PARP10PARP2ACACA
SCHEMBL13727971 0.87 ACACB (0.46) ACACBPARP15PARP10PARP2ACACA
SCHEMBL29457133 0.81 PARP15 (0.51) ACACBPARP15PARP10PARP2ACACA
SCHEMBL31681100 0.80 ACACB (0.44) ACACBPARP15PARP10PARP2ACACA
SCHEMBL21921012 0.78 ACACB (0.40) ACACBACACA
SCHEMBL17246825 0.77 PARP15 (0.51) ACACBPARP15PARP10PARP2ACACA
SCHEMBL19876587 0.77 PARP15 (0.51) ACACBPARP15PARP10PARP2ACACA
SCHEMBL7601081 0.77 PARP15 (0.51) ACACBPARP15PARP10PARP2ACACA
SCHEMBL31355010 0.76 CYP4F2 (0.34)

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-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 EP disclosed