SCHEMBL30533061

SCHEMBL30533061

C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.56
▸ NOD1 Q9Y239 1/20 0.45
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ CTSD P07339 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ GNPAT O15228 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CPB2 Q96IY4 2/20 0.38
▸ GSR P00390 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL31571855 1.00 FOLH1 (0.56) FOLH1NOD1NMT2NMT1CTSD
SCHEMBL30091428 0.97 FOLH1 (0.53) FOLH1NOD1NMT2NMT1CTSD
SCHEMBL29544141 0.97 FOLH1 (0.53) FOLH1NOD1NMT2NMT1CTSD
SCHEMBL30512604 0.97 FOLH1 (0.53) FOLH1NOD1NMT2NMT1CTSD
SCHEMBL29794236 0.97 FOLH1 (0.53) FOLH1NOD1NMT2NMT1CTSD
SCHEMBL2512125 0.97 FOLH1 (0.53) FOLH1NOD1NMT2NMT1CTSD
SCHEMBL29531499 0.94 FOLH1 (0.50) FOLH1NOD1NMT2NMT1CTSD
SCHEMBL29802019 0.93 NMT2 (0.44) FOLH1NOD1NMT2NMT1CPB2
SCHEMBL29353557 0.93 NMT2 (0.44) FOLH1NOD1NMT2NMT1CPB2
SCHEMBL29625397 0.92 FOLH1 (0.60) FOLH1NOD1NMT2NMT1GNPAT

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-116732013-A Cell wall degrading enzymes with antibacterial activity 百葵锐(深圳)生物科技有限公司 2023-09-12 — — CN disclosed
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