SCHEMBL9071441

SCHEMBL9071441

CCC(CC)Oc1cc(OC(C)C)cc(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.53
▸ PLAU P00749 4/20 0.44
▸ F2 P00734 3/20 0.44
▸ PRSS1 P07477 3/20 0.44
▸ PLG P00747 2/20 0.44
▸ PLAT P00750 2/20 0.44
▸ KLKB1 P03952 2/20 0.44
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GLA P06280 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ PRSS2 P07478 1/20 0.37

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
SCHEMBL14017899 0.87 PARP10 (0.53) PARP10PLAUF2PRSS1PLG
SCHEMBL14017929 0.82 PARP10 (0.47) PARP10PLAUF2PRSS1PLG
SCHEMBL9071440 0.81 PARP10 (0.50) PARP10PLAUF2PRSS1PLG
SCHEMBL14017925 0.81 PARP10 (0.53) PARP10PLAUF2PRSS1PLG
SCHEMBL22089990 0.80 PARP10 (0.56) PARP10PLAUF2PRSS1PLG
SCHEMBL30986197 0.80 PARP10 (0.56) PARP10PLAUF2PRSS1PLG
SCHEMBL9071474 0.79 GCK (0.53) PARP10PLAUF2PRSS1PLG
SCHEMBL27443684 0.79 PARP1 (0.62) PARP10PLAUF2KMT2APARP1
SCHEMBL13703974 0.78 PARP10 (0.58) PARP10PLAUF2PRSS1PLG
SCHEMBL12127897 0.78 PARP10 (0.58) PARP10PLAUF2PRSS1PLG

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
WO-2003015774-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2003-02-27 — — WO disclosed
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