SCHEMBL28154667

SCHEMBL28154667

C=C1C(=O)OC(C)(C)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
CTSG P08311 2/20 0.47
PRTN3 P24158 1/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.42
LMNA P02545 3/20 0.42
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AMPD2 Q01433 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL28154666 0.69 ELANE (0.71) ELANECTSGPRTN3ALDH1A1GAA
SCHEMBL7449986 0.67 ELANE (0.50) ELANECTSGPRTN3ALDH1A1GAA
SCHEMBL7858056 0.67 AMPD2 (0.39) ELANECTSGPRTN3ALDH1A1GAA
SCHEMBL17384429 0.67 ELANE (0.47) ELANECTSGPRTN3ALDH1A1GAA
Iodide SCHEMBL7858057 0.66 AMPD2 (0.38) ELANECTSGPRTN3ALDH1A1GAA
SCHEMBL28154678 0.66 ELANE (0.57) ELANECTSGPRTN3GAAF2
SCHEMBL4455509 0.66 ELANE (0.47) ELANECTSGPRTN3ALDH1A1GAA
SCHEMBL6049149 0.66 ALDH1A1 (0.50) ELANECTSGPRTN3ALDH1A1GAA
SCHEMBL6132736 0.65 GAA (0.44) ELANECTSGPRTN3ALDH1A1GAA
SCHEMBL13484401 0.65 ELANE (0.56) ELANECTSGPRTN3ALDH1A1GAA

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-104788397-B Method for preparing 4-methylene-2-oxazolidinone 清华大学 2017-05-24 CN disclosed