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SCHEMBL19445622

SCHEMBL19445622

NCCCCC(NC(=O)c1cc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@@H](N)CCCCN)ccc3O)ccc2O)ccc1O)C(=O)Nc1ccc(O)c(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 11/20 0.43
▸ LNPEP Q9UIQ6 10/20 0.43
▸ TERT O14746 3/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ ERAP1 Q9NZ08 5/20 0.42
▸ F2 P00734 2/20 0.39
▸ HPGDS O60760 1/20 0.39

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
SCHEMBL19445846 0.93 ERAP2 (0.44) ERAP2LNPEPLTA4HERAP1HPGDS
SCHEMBL10262149 0.90 ERAP2 (0.43) ERAP2LNPEPTERTLTA4HERAP1
SCHEMBL19445703 0.88 ERAP2 (0.38) ERAP2LNPEPTERTLTA4HERAP1
SCHEMBL19445624 0.86 KLKB1 (0.36) ERAP2LNPEPTERTLTA4HERAP1
SCHEMBL19219894 0.85 ERAP2 (0.41) ERAP2LNPEPTERTLTA4HERAP1
SCHEMBL19445847 0.85 ERAP2 (0.45) ERAP2LNPEPLTA4HERAP1HPGDS
SCHEMBL13973855 0.84 ERAP2 (0.39) ERAP2LNPEPLTA4HERAP1
Delparantag SCHEMBL10260914 0.84 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
Delparantag SCHEMBL19445838 0.84 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
SCHEMBL15138936 0.84 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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