SCHEMBL30409337

SCHEMBL30409337

CC(C)OC(=O)[C@@](C)(N)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CTSD P07339 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36

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
SCHEMBL30408092 0.84 NPSR1 (0.78) NPSR1ALDH1A1HTTGAANPC1
SCHEMBL30410326 0.83 NPSR1 (0.62) NPSR1ALDH1A1HTTGAANPC1
SCHEMBL9100294 0.81 NPSR1 (0.52) NPSR1CRHBPCRHR2ALDH1A1HTT
SCHEMBL30410334 0.81 NPSR1 (0.59) NPSR1ALDH1A1HTTGAARAB9A
SCHEMBL22090177 0.79 NPSR1 (0.60) NPSR1ALDH1A1HTTGAATDP1
SCHEMBL30408995 0.77 NPSR1 (0.56) NPSR1ALDH1A1HTTNPC1RAB9A
SCHEMBL975998 0.74 NPSR1 (0.79) NPSR1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL30409279 0.74 NPSR1 (0.51) NPSR1ALDH1A1HTTNPC1RAB9A
SCHEMBL4008025 0.73 NPSR1 (0.56) NPSR1ALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL4009144 0.72 NPSR1 (0.77) NPSR1ALDH1A1HTTNFKB1RAB9A

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-116102442-A Method for preparing alpha-aryl amino acid ester by asymmetric catalysis 西南大学 2023-05-12 CN disclosed