SCHEMBL2666400

SCHEMBL2666400

CC(F)COc1cc(OC(C)C)cc(C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.49
▸ GCK P35557 7/20 0.43
▸ RARA P10276 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ PLAU P00749 2/20 0.39
▸ F2 P00734 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ PLAT P00750 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL9071474 0.88 GCK (0.53) PARP10GCKRARARARBRARG
SCHEMBL14017929 0.84 PARP10 (0.47) PARP10GCKRARARARBRARG
SCHEMBL9071440 0.81 PARP10 (0.50) PARP10GCKPLAUF2PLG
SCHEMBL9071442 0.78 PARP10 (0.47) PARP10GCKRARARARBRARG
SCHEMBL14018037 0.78 PARP10 (0.47) PARP10GCKRARARARBRARG
SCHEMBL14018622 0.77 PARP10 (0.56) PARP10GCKIRAK4ACACBACACA
SCHEMBL9071441 0.77 PARP10 (0.53) PARP10PLAUF2PLGPLAT
SCHEMBL14017899 0.77 PARP10 (0.53) PARP10GCKPLAUF2PLG
SCHEMBL30151899 0.76 PARP10 (0.61) PARP10TSHRKMT2AALDH1A1
SCHEMBL14091195 0.76 PARP10 (0.45) PARP10GCKRARARARBRARG

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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