SCHEMBL19445847

SCHEMBL19445847

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cccc(NC(=O)[C@@H](N)CCCCN)c4)ccc3O)ccc2O)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 11/20 0.45
▸ LNPEP Q9UIQ6 10/20 0.45
▸ ERAP1 Q9NZ08 5/20 0.44
▸ MMP2 P08253 1/20 0.41
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC9 Q9UKV0 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ HPGDS O60760 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
SCHEMBL10260969 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL12515355 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL19445724 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL12515364 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL19445798 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL21371992 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL21371991 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL21371923 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL19945119 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1MMP2HDAC3
SCHEMBL10262149 0.93 ERAP2 (0.43) ERAP2LNPEPERAP1MMP2SUV39H2

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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