SCHEMBL31733944

SCHEMBL31733944

CC(N)[C@H](C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC7A5 Q01650 3/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
PMP22 Q01453 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL7814662 1.00 NOS1 (0.37) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL2141977 0.90 NOS1 (0.38) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL1066621 0.87 KMT2A (0.39) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL4106257 0.87 KMT2A (0.39) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL27656864 0.87 KMT2A (0.39) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL4366518 0.85 SLC7A5 (0.36) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL27550039 0.85 SLC7A5 (0.36) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL28025146 0.85 NOS1 (0.40) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL7132175 0.85 SLC7A5 (0.39) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL28802149 0.84 CA1 (0.36) NOS1SLC7A5KMT2ALMNAMEN1

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-223587138-U A pickling tank for BOC-R-3-aminobutyric acid 南京安淮创新药物研究院有限公司 2025-11-25 CN disclosed
CN-223587138-U A pickling tank for BOC-R-3-aminobutyric acid 南京安淮创新药物研究院有限公司 2025-11-25 CN disclosed