SCHEMBL31207347

SCHEMBL31207347

CC(C)(C)OC(=O)N1COC(=O)C1CCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 1/20 0.36
MCL1 Q07820 3/20 0.35
GPR119 Q8TDV5 4/20 0.35
KDM4E B2RXH2 1/20 0.34
GHSR Q92847 1/20 0.34
DRD2 P14416 1/20 0.33
ACHE P22303 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL31207346 0.80 ATM (0.36) HSD11B1GPR119
SCHEMBL394196 0.77 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHSD11B1MCL1
SCHEMBL31715477 0.74 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGPR119KDM4E
SCHEMBL22534100 0.71 ATM (0.36) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL8224891 0.71 ATM (0.36) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL28767890 0.70 GPR119 (0.44) ALDH1A1LMNAMAPTGPR119KDM4E
SCHEMBL13475327 0.70 ATM (0.35) ALDH1A1MEN1KMT2A
SCHEMBL14628202 0.70 ATM (0.35) ALDH1A1MEN1KMT2A
SCHEMBL4924131 0.69 LMNA (0.51) ALDH1A1LMNAMAPTGPR119KDM4E
SCHEMBL22546731 0.68 USP2 (0.41) ALDH1A1MCL1KDM4E

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-118724833-A Amino acid derivative, preparation method thereof and method for synthesizing L-glufosinate-ammonium as intermediate 南京华狮新材料有限公司 2024-10-01 CN disclosed