SCHEMBL30009258

SCHEMBL30009258

COC(=O)CC(C)(C)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TET2 Q6N021 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL28343476 0.84 ALDH1A1 (0.37) ALDH1A1L3MBTL1LMNA
SCHEMBL475682 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1TSHRHSD17B10MGAM
SCHEMBL27989041 0.76 ALDH1A1 (0.36) ALDH1A1L3MBTL1TET2CYP2C19
SCHEMBL13732135 0.75 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL28343478 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1
SCHEMBL2124560 0.75 HMGCR (0.52) ALDH1A1L3MBTL1TSHRCYP2C19MEN1
SCHEMBL585604 0.74
SCHEMBL6826552 0.74
SCHEMBL7047649 0.74 HMGCR (0.50) ALDH1A1TSHRHSD17B10MGAMGAA
SCHEMBL28711564 0.73 ALDH1A1 (0.36) ALDH1A1L3MBTL1HTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
CN-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN disclosed