SCHEMBL10804040

SCHEMBL10804040

C=CC(=O)NCCCCOc1ccccc1C(=O)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HCRTR1 O43613 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NAAA Q02083 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ ALOX5 P09917 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
SCHEMBL10363161 0.87 TGM2 (0.51) TGM2HDAC3HDAC1HDAC2HDAC6
SCHEMBL10363995 0.87 LMNA (0.53) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL10363212 0.86 TGM2 (0.49) TGM2HCRTR1ALDH1A1KDM4EKMT2A
SCHEMBL10803992 0.85 ALDH1A1 (0.54) TGM2HCRTR1ALDH1A1KDM4EKMT2A
SCHEMBL10803446 0.84 TGM2 (0.56) TGM2HCRTR1ALDH1A1KDM4EHSD17B10
SCHEMBL10362457 0.84 LMNA (0.58) TGM2HDAC6HCRTR1ALDH1A1KDM4E
SCHEMBL10809320 0.83 GAA (0.45) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL10362443 0.82 GAA (0.49) TGM2HDAC3HDAC1HDAC2HDAC6
SCHEMBL10818366 0.82 TGM2 (0.50) TGM2HCRTR1ALDH1A1KDM4EKMT2A
SCHEMBL10806798 0.82 KDM4E (0.56) TGM2HCRTR1ALDH1A1KDM4EHPGD

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
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
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