SCHEMBL9717134

SCHEMBL9717134

N#CC(C(=O)OCCOC(=O)Cl)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 3/20 0.52
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 4/20 0.37
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
DNM1 Q05193 1/20 0.33
ESR1 P03372 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL32669188 0.86 LMNA (0.59) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL12253186 0.85 LMNA (0.55) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL11408376 0.85 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL3677818 0.85 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL15797630 0.85 LMNA (0.57) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL11207543 0.84 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL4743488 0.84 ALDH1A1 (0.63) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL24703978 0.83 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL16486985 0.83 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL11213262 0.83 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1MAPTXBP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162405-A Single-functional and mixtures of multi-functional oligomeric performance additive compositions and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-11-10 US disclosed
US-5013777-A Benzosulfonic acids as end groups of engineering thermoplastic resins; fireproofing; oxidation and UV resistances; photostabilizers ATOCHEM NORTH AMERICA, INC. (US) 1991-05-07 US disclosed
EP-0332761-A2 Single-functional and mixtures of multifunctional oligomeric performance additive compositions, and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-09-20 EP disclosed