SCHEMBL13306572

SCHEMBL13306572

C=C(N=O)c1ccccc1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ PBRM1 Q86U86 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CA12 O43570 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL279655 0.79 ALDH1A1 (0.53) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL12067285 0.78 ALDH1A1 (0.40) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL8297060 0.78 SMN1; SMN2 (0.42) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11373632 0.77 ALDH1A1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7596837 0.77 ALDH1A1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9008317 0.77 ALDH1A1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL18560165 0.76 — —
SCHEMBL14041790 0.76 ALDH1A1 (0.46) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL24110823 0.75 ALDH1A1 (0.32) KDM4EALDH1A1POLBALOX15
SCHEMBL8864751 0.74 ALDH1A1 (0.40) KDM4EALDH1A1LMNASMN1; SMN2KMT2A

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-1967080-B1 Non-aldehyde cinnamon flavor and delivery systems therefor CADBURY ADAMS USA LLC (US) 2010-06-02 — — EP disclosed
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