SCHEMBL19445798

SCHEMBL19445798

COc1ccc(NC(=O)C(CCCCN)NC(=O)c2cc(NC(=O)C(CCCCN)NC(=O)c3cc(NC(=O)C(CCCCN)NC(=O)c4cccc(NC(=O)C(N)CCCCN)c4)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 11/20 0.47
▸ LNPEP Q9UIQ6 10/20 0.47
▸ ERAP1 Q9NZ08 5/20 0.47
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL12515364 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL12515355 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL10260969 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL19445724 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL21371991 0.99 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL21371923 0.99 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL21371992 0.99 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL19945119 0.99 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL19445847 0.95 ERAP2 (0.45) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL12517112 0.95 ERAP2 (0.45) ERAP2LNPEPERAP1HDAC3HDAC4

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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