SCHEMBL28154666

SCHEMBL28154666

C=C1N(Cc2ccccc2)C(=O)OC1(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.71
CTSG P08311 2/20 0.71
PRTN3 P24158 1/20 0.71
PGR P06401 1/20 0.48
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
CMA1 P23946 1/20 0.47
CTRC Q99895 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MGLL Q99685 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NR3C2 P08235 2/20 0.43
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL28154678 0.86 ELANE (0.57) ELANECTSGPRTN3PGRF2
SCHEMBL7297050 0.74 ELANE (0.47) ELANECTSGPRTN3F2PLG
SCHEMBL9371956 0.74 SIGMAR1 (0.56) ELANECTSGPRTN3
SCHEMBL9377506 0.71 KMT2A (0.45) ELANECTSGPRTN3F2PLG
SCHEMBL8320094 0.69 ELANE (0.73) ELANECTSGPRTN3ALDH1A1NPSR1
SCHEMBL5257643 0.69 ELANE (0.73) ELANECTSGPRTN3PGRALDH1A1
SCHEMBL28154667 0.69 ELANE (0.47) ELANECTSGPRTN3F2PLG
SCHEMBL7290222 0.68 SIGMAR1 (0.53)
SCHEMBL28155521 0.68 ELANE (0.47) ELANECTSGPRTN3F2PLG
SCHEMBL28694926 0.67 ELANE (0.52) ELANECTSGPRTN3PGRF2

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