SCHEMBL2666501

SCHEMBL2666501

C=C(O)c1cc(CO)cc(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PRKCA P17252 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ GCK P35557 6/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL2666306 0.84 ALDH1A1 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1796030 0.83 KMT2A (0.51) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5107914 0.82 GRIN2D (0.55) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14546689 0.81 ALDH1A1 (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14191840 0.79 PARP10 (0.53) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1794516 0.78 ALDH1A1 (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14191632 0.77 KMT2A (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14191901 0.75 FFAR4 (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17802686 0.74 GRIN2D (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16953625 0.74 GRIN2D (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568367-B3 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-09-02 — — EP disclosed
WO-2003015774-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2003-02-27 — — WO disclosed
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