SCHEMBL19445813

SCHEMBL19445813

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@@H](N)CCCCN)ccc2OC)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 8/20 0.47
▸ LNPEP Q9UIQ6 7/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ ERAP1 Q9NZ08 4/20 0.46
▸ SUV39H2 Q9H5I1 2/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ AAK1 Q2M2I8 2/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TERT O14746 1/20 0.40

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
SCHEMBL10262052 1.00 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2
SCHEMBL19445876 0.95 ERAP2 (0.45) ERAP2LNPEPMMP2ERAP1SUV39H2
SCHEMBL13962658 0.93 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2
SCHEMBL12766953 0.93 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2
Delparantag SCHEMBL10267622 0.92 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2
Delparantag SCHEMBL19445838 0.92 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2
SCHEMBL15138936 0.92 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2
Delparantag SCHEMBL10260914 0.92 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2
SCHEMBL10262891 0.92 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2
SCHEMBL12779221 0.92 ERAP2 (0.47) ERAP2LNPEPMMP2ERAP1SUV39H2

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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