SCHEMBL30409276

SCHEMBL30409276

COC(=O)c1ccc([C@](C)(N)C(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.53
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 2/20 0.49
USP10 Q14694 1/20 0.44
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 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
SCHEMBL27719472 0.88 TSHR (0.50) HPGDLMNAKMT2AMEN1GAA
SCHEMBL30409284 0.82 MEN1 (0.47) NPSR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL30408082 0.82 TDP1 (0.50) HPGDNPSR1ALDH1A1LMNAKMT2A
SCHEMBL30409710 0.82 TSHR (0.45) NPSR1ALDH1A1GAAMAPTPOLB
SCHEMBL8129502 0.82 VCAM1 (0.63) VCAM1HPGDNPSR1ALDH1A1USP10
SCHEMBL30409004 0.81 NPSR1 (0.41) NPSR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL30409839 0.81 NPSR1 (0.41) NPSR1ALDH1A1USP10MAPTPOLB
SCHEMBL30409005 0.81 NPSR1 (0.41) NPSR1ALDH1A1HSP90AA1GAAMAPT
SCHEMBL30409068 0.79 MAPT (0.46) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL20594866 0.78 VCAM1 (0.59) VCAM1HPGDNPSR1ALDH1A1USP10

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