SCHEMBL28496237

SCHEMBL28496237

CCOC(=O)c1ccccc1NCC(O)CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
TSHR P16473 5/20 0.54
HSD17B10 Q99714 4/20 0.52
LMNA P02545 4/20 0.51
CDC25B P30305 2/20 0.51
CDC25A P30304 1/20 0.51
CDC25C P30307 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL11575147 0.89 KDM4E (0.55) KDM4ETSHRHSD17B10LMNACDC25B
SCHEMBL11538898 0.84 KDM4E (0.59) KDM4ETSHRHSD17B10LMNACDC25B
SCHEMBL11574433 0.83 MAPT (0.69) KDM4ETSHRHSD17B10LMNAKMT2A
Diethyl Phthalate SCHEMBL15741420 0.82 TSHR (0.75) KDM4ETSHRHSD17B10LMNACDC25B
SCHEMBL27502295 0.81 KDM4E (0.50) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL1460556 0.81 TSHR (0.67) KDM4ETSHRHSD17B10LMNACDC25B
SCHEMBL11162151 0.80 TSHR (0.61) KDM4ETSHRHSD17B10LMNACDC25B
SCHEMBL8062417 0.80 KDM4E (0.74) KDM4ETSHRHSD17B10LMNACDC25B
SCHEMBL2189096 0.79 ALDH1A1 (0.54) KDM4EHSD17B10LMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6383958 0.79 TSHR (0.65) KDM4ETSHRHSD17B10LMNACDC25B

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
CN-107205387-B Powder formulations comprising insect repellent 默克专利股份有限公司 2020-11-13 CN disclosed