SCHEMBL31472581

SCHEMBL31472581

CC(C)[C@H](NN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ LTA4H P09960 4/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ ANPEP P15144 1/20 0.32
▸ ECE1 P42892 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL16569260 0.84 MME (0.40) MMEACECPA1ACE2LTA4H
SCHEMBL16975025 0.82 TP53 (0.35) —
SCHEMBL16975026 0.82 TP53 (0.35) —
SCHEMBL866892 0.78 — —
SCHEMBL12487823 0.78 — —
SCHEMBL866893 0.78 — —
Hydrochloric Acid SCHEMBL25266273 0.76 TP53 (0.36) —
Hydrochloric Acid SCHEMBL7721977 0.76 TP53 (0.36) —
SCHEMBL31378136 0.73 — —
SCHEMBL31472580 0.72 C3AR1 (0.39) ECE1

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-119792560-A Albumin-paclitaxel twin drug nanoparticle based on dipeptide linker and application thereof 浙江工业大学 2025-04-11 — — CN disclosed
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