SCHEMBL19486027

SCHEMBL19486027

COC(=O)c1cccc(C(=O)N[C@@H](CCCCCN)C(=O)Nc2ccc(OC)c(C(=O)N[C@@H](CCCCCN)C(=O)Nc3ccc(OC)c(C(=O)N[C@@H](CCCCCN)C(=O)Nc4ccc(OC)c(C(=O)N[C@@H](CCCCN)C(=O)Nc5ccc(OC)c(C(N)=O)c5)c4)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.45
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC3 O15379 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TSHR P16473 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
SCHEMBL19944728 1.00 KLKB1 (0.45) KLKB1HDAC1HDAC3HDAC4HDAC7
SCHEMBL12515249 0.99 KLKB1 (0.45) KLKB1HDAC1HDAC3HDAC4HDAC7
SCHEMBL12515486 0.92 MMP2 (0.45) KLKB1HDAC1HDAC3HDAC4HDAC7
SCHEMBL19219853 0.91 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21371960 0.91 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12514992 0.91 KLKB1 (0.51) KLKB1MMP2MEN1KMT2AMAPT
SCHEMBL19944963 0.90 HPGDS (0.48) KLKB1HDAC1HDAC3HDAC4HDAC7
SCHEMBL19445793 0.90 HDAC1 (0.47) KLKB1HDAC1HDAC3HDAC4HDAC7
SCHEMBL12515244 0.90 HDAC1 (0.47) KLKB1HDAC1HDAC3HDAC4HDAC7
SCHEMBL21371991 0.90 ERAP2 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
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