SCHEMBL18506594

SCHEMBL18506594

CCCNC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ POLB P06746 1/20 0.56
▸ HDAC3 O15379 2/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ MMP1 P03956 3/20 0.53
▸ MMP3 P08254 2/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ CTSS P25774 4/20 0.52
▸ CTSK P43235 2/20 0.52
▸ CTSL P07711 4/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ MMP2 P08253 7/20 0.51

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
SCHEMBL18506558 1.00 L3MBTL1 (0.67) L3MBTL1POLBHDAC3HDAC4HDAC1
SCHEMBL23154665 0.94 L3MBTL1 (0.65) L3MBTL1POLBHDAC3HDAC4HDAC1
SCHEMBL23154817 0.94 L3MBTL1 (0.65) L3MBTL1POLBHDAC3HDAC4HDAC1
SCHEMBL23154816 0.94 L3MBTL1 (0.65) L3MBTL1POLBHDAC3HDAC4HDAC1
SCHEMBL13063742 0.86 CTSS (0.70) L3MBTL1POLBHDAC3HDAC4HDAC1
SCHEMBL23154438 0.84 L3MBTL1 (0.68) L3MBTL1POLBHDAC3HDAC4HDAC1
SCHEMBL19361059 0.84 MMP1 (0.64) MMP1MMP3MMP8MMP2
SCHEMBL22962378 0.84 MMP1 (0.64) MMP1MMP3MMP8MMP2
SCHEMBL988137 0.83 CHRNB2 (0.71) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13778778 0.83 NAAA (0.58) L3MBTL1MMP1MMP3CHRNB2CHRNB4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331937-B1 CROSS-LINKED STAR-SHAPED SELF-ASSEMBLED POLYPEPTIDES AND ITS USE AS CARRIERS IN BIOMEDICAL APPLICATIONS CENTRO DE INVESTIG PRINCIPE FELIPE (ES) 2019-06-19 — — EP disclosed
WO-2017025298-A1 CROSS-LINKED STAR-SHAPED SELF-ASSEMBLED POLYPEPTIDES AND ITS USE AS CARRIERS IN BIOMEDICAL APPLICATIONS CENTRO DE INVESTIGACION PRINCIPE FELIPE (ES) 2017-02-16 — — WO disclosed
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