SCHEMBL11575355

SCHEMBL11575355

CCOC(=O)c1ccccc1NC(=O)CC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.72
HSD17B10 Q99714 4/20 0.72
ALDH1A1 P00352 6/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
MAPK1 P28482 1/20 0.69
TSHR P16473 5/20 0.67
MAPK10 P53779 1/20 0.67
LMNA P02545 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 3/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 2/20 0.60
TP53 P04637 1/20 0.60
HTT P42858 1/20 0.60
HPGD P15428 1/20 0.58

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
SCHEMBL10501732 0.92 KDM4E (0.78) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL14085807 0.88 KDM4E (0.76) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL6415809 0.86 KMT2A (0.84) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL7312805 0.86 LMNA (0.71) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL6695018 0.85 KDM4E (0.72) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL7632830 0.85 KDM4E (0.72) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL6406681 0.85 KDM4E (0.72) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL6410314 0.85 KDM4E (0.72) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL6699060 0.85 KDM4E (0.72) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1
SCHEMBL11302755 0.83 CYP3A4 (0.60) KDM4EHSD17B10ALDH1A1L3MBTL1MAPK1

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
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed