SCHEMBL7753713

SCHEMBL7753713

CCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
ALDH1A1 P00352 2/20 0.38
SLC18A3 Q16572 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 3/20 0.33
HTT P42858 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL2220821 0.86 GAA (0.43) NAAAALDH1A1KMT2AGAATP53
SCHEMBL728303 0.86 NAAA (0.47) NAAAKMT2AGAATP53MEN1
SCHEMBL28211893 0.86 NAAA (0.40) NAAAALDH1A1KMT2AGAATP53
SCHEMBL1150064 0.86 CHRM2 (0.34) NAAAALDH1A1KMT2AGAAMEN1
SCHEMBL2734642 0.85 NAAA (0.39) NAAAALDH1A1KMT2AGAATP53
SCHEMBL12919729 0.85 NAAA (0.39) NAAAALDH1A1KMT2AGAATP53
SCHEMBL8849617 0.80 NAAA (0.36) NAAAALDH1A1KMT2AGAATP53
SCHEMBL4801581 0.78 NAAA (0.51) NAAASMN1; SMN2
SCHEMBL4799930 0.78 NAAA (0.51) NAAASMN1; SMN2
SCHEMBL9871455 0.77 GAA (0.47) NAAAALDH1A1KMT2AGAAMEN1

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
EP-1077206-A1 Method of inhibiting vapor phase fouling in vinyl monomer systems NALCO/EXXON ENERGY CHEMICALS L.P. (US) 2001-02-21 EP disclosed