SCHEMBL9720283

SCHEMBL9720283

COC(=O)NC(C)(C)NC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
DGAT1 O75907 1/20 0.35
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL2757922 0.81
SCHEMBL19115289 0.77
SCHEMBL8930044 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MGAMGAASI
SCHEMBL753141 0.75 KDM4C (0.43) ALDH1A1MGAMGAASIMGAM2
SCHEMBL11982369 0.75 MGAM (0.36) ALDH1A1SMN1; SMN2MGAMGAASI
SCHEMBL3175996 0.73 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MGAMGAASI
SCHEMBL2809598 0.73
SCHEMBL21440375 0.73
SCHEMBL1995681 0.73 KEAP1 (0.32) ALDH1A1DGAT1KEAP1NFE2L2HCAR2
SCHEMBL4783072 0.73 ALDH1A1 (0.30) ALDH1A1DGAT1

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
US-5126476-A Reaction of aromatic compound with alkylenebis(alkyl carbamate) in presence of acid catalyst and polar aprotic solv ent ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-06-30 US disclosed