SCHEMBL28673102

SCHEMBL28673102

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
ARG1 P05089 3/20 0.33
ARG2 P78540 3/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28673100 1.00 ALDH1A1 (0.38) ALDH1A1MEN1LMNABLMHBB
SCHEMBL522663 0.76 ODC1 (0.42) ALDH1A1MEN1LMNABLMKMT2A
SCHEMBL522662 0.76 ODC1 (0.42) ALDH1A1MEN1LMNABLMKMT2A
SCHEMBL27643056 0.76 FDPS (0.44) ALDH1A1MEN1KMT2AARG1ARG2
Hydrochloric Acid SCHEMBL8205380 0.74 BLM (0.43) ALDH1A1MEN1LMNABLMKMT2A
Hydrochloric Acid SCHEMBL8205379 0.74 BLM (0.43) ALDH1A1MEN1LMNABLMKMT2A
SCHEMBL872443 0.74 FDPS (0.42) ALDH1A1MEN1KMT2AARG1ARG2
SCHEMBL3744397 0.74 ODC1 (0.48) ALDH1A1MEN1LMNABLMKMT2A
SCHEMBL3627363 0.74 ODC1 (0.48) ALDH1A1MEN1LMNABLMKMT2A
SCHEMBL30510373 0.74 FDPS (0.42) ALDH1A1MEN1KMT2AARG1ARG2

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-113817785-B Method for synthesizing (S) -6-nitronorleucine and catalytic enzyme thereof 山东大学 2023-08-18 CN disclosed
CN-113817785-A Method for synthesizing (S) -6-nitro norleucine and catalytic enzyme thereof 山东大学 2021-12-21 CN disclosed