SCHEMBL28097992

SCHEMBL28097992

CC(C)(C)COCCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
ESR1 P03372 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33

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
SCHEMBL22431609 0.88 ALDH1A1 (0.55) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL16486985 0.85 ALDH1A1 (0.56) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL12253191 0.84 ALDH1A1 (0.58) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL10135989 0.84 LMNA (0.52) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL11408376 0.82 ALDH1A1 (0.55) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL12253186 0.82 LMNA (0.55) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL12813009 0.82 ALDH1A1 (0.55) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL29664901 0.82 ALDH1A1 (0.55) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL11401792 0.81 ALDH1A1 (0.49) MAPK1LMNAALDH1A1MAPTXBP1
SCHEMBL4743488 0.81 ALDH1A1 (0.63) MAPK1LMNAALDH1A1MAPTXBP1

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-106047362-A Remediation enhancer for lead and zinc soil around typical heavy metal polluting enterprise and production method of remediation enhancer 徐州工程学院 2016-10-26 CN disclosed