SCHEMBL2863594

SCHEMBL2863594

CCC(C)C(NC(=O)C1CCCN1C(=O)CN)C(=O)NCC(=O)NC([C]=O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.42
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.38
NTSR1 P30989 4/20 0.35
OPRD1 P41143 3/20 0.34
MMP3 P08254 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CALCRL Q16602 2/20 0.32
CTSD P07339 2/20 0.32
CTSE P14091 2/20 0.32
PREP P48147 2/20 0.32
BACE1 P56817 1/20 0.32
CAPN1 P07384 1/20 0.32
NTSR2 O95665 2/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32

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
SCHEMBL2863597 1.00 XIAP (0.42) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2864434 0.88 XIAP (0.42) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2864439 0.88 XIAP (0.42) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL23071523 0.87 XIAP (0.49) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL29790122 0.87 XIAP (0.49) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2950598 0.87 XIAP (0.49) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2950592 0.87 XIAP (0.49) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL31195358 0.86 XIAP (0.54) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2866462 0.86 XIAP (0.50) XIAPPOLBPTPN1NTSR1MMP3
SCHEMBL2866457 0.86 XIAP (0.50) XIAPPOLBPTPN1NTSR1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820625-B2 UV-induced dermatitis inhibitor and atopic dermatitis inhibitor NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-10-26 US claimed
US-20090215702-A1 Uv-Induced Dermatitis Inhibitor and Atopic Dermatitis Inhibitor NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-08-27 US claimed
US-7820625-B2 UV-induced dermatitis inhibitor and atopic dermatitis inhibitor NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-10-26 US disclosed
US-7820625-B2 UV-induced dermatitis inhibitor and atopic dermatitis inhibitor NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-10-26 US disclosed
US-20090215702-A1 Uv-Induced Dermatitis Inhibitor and Atopic Dermatitis Inhibitor NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-08-27 US disclosed
US-20090215702-A1 Uv-Induced Dermatitis Inhibitor and Atopic Dermatitis Inhibitor NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-08-27 US disclosed
JP-2007119440-A UV-INDUCED DERMATITIS INHIBITOR AND ATOPIC DERMATITIS INHIBITOR NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY 2007-05-17 JP disclosed
WO-2006106633-A1 UV-INDUCED DERMATITIS INHIBITOR AND ATOPIC DERMATITIS INHIBITOR NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2006-10-12 WO disclosed