SCHEMBL2508754

SCHEMBL2508754

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.46
▸ FOLH1 Q04609 1/20 0.43
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ GHSR Q92847 1/20 0.39
▸ FURIN P09958 6/20 0.39
▸ CPB2 Q96IY4 1/20 0.36

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
SCHEMBL2508755 1.00 NOD1 (0.46) NOD1FOLH1NMT2NMT1GHSR
SCHEMBL20529374 0.92 NMT2 (0.43) NOD1FOLH1NMT2NMT1FURIN
SCHEMBL30091428 0.91 FOLH1 (0.53) NOD1FOLH1NMT2NMT1FURIN
SCHEMBL30512604 0.91 FOLH1 (0.53) NOD1FOLH1NMT2NMT1FURIN
SCHEMBL29794236 0.91 FOLH1 (0.53) NOD1FOLH1NMT2NMT1FURIN
SCHEMBL29544141 0.91 FOLH1 (0.53) NOD1FOLH1NMT2NMT1FURIN
SCHEMBL2512125 0.91 FOLH1 (0.53) NOD1FOLH1NMT2NMT1FURIN
SCHEMBL4593610 0.90 DPP8 (0.46) FOLH1NMT2NMT1FURINCPB2
SCHEMBL29625795 0.90 NOD1 (0.55) NOD1FOLH1NMT2NMT1GHSR
SCHEMBL29353557 0.90 NMT2 (0.44) NOD1FOLH1NMT2NMT1GHSR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 — — US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 — — US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 — — WO disclosed
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