SCHEMBL19445641

SCHEMBL19445641

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 8/20 0.44
▸ LNPEP Q9UIQ6 7/20 0.44
▸ ERAP1 Q9NZ08 4/20 0.43
▸ SUV39H2 Q9H5I1 2/20 0.42
▸ LTA4H P09960 1/20 0.40
▸ AAK1 Q2M2I8 2/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ TERT O14746 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
SCHEMBL19445695 0.95 SUV39H2 (0.45) ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL19445595 0.94 SUV39H2 (0.45) ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL19445810 0.92 KCNB1 (0.40) ERAP2LNPEPERAP1KLKB1MMP2
SCHEMBL19445879 0.91 KCNK3 (0.41) KLKB1MMP2
SCHEMBL19445603 0.91 KLKB1 (0.39) ERAP2LNPEPERAP1KLKB1MMP2
SCHEMBL13962658 0.90 ERAP2 (0.47) ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL12766953 0.90 ERAP2 (0.47) ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL19445834 0.90 MMP2 (0.39) SUV39H2KLKB1MMP2
SCHEMBL19445644 0.89 ERAP2 (0.44) ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL19445813 0.89 ERAP2 (0.47) ERAP2LNPEPERAP1SUV39H2LTA4H

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
Send feedback