SCHEMBL2864439

SCHEMBL2864439

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N[C@H]([C]=O)CO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.42
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.36
NTSR1 P30989 4/20 0.35
OPRD1 P41143 3/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PREP P48147 2/20 0.32
CAPN1 P07384 2/20 0.32
NTSR2 O95665 2/20 0.32
ELANE P08246 1/20 0.32
DPP4 P27487 2/20 0.32
FAP Q12884 1/20 0.32
CTSB P07858 1/20 0.32
MMP3 P08254 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
SCHEMBL2864434 1.00 XIAP (0.42) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL4447330 0.91 XIAP (0.46) XIAPPOLBPTPN1NTSR1KMT2A
SCHEMBL4447323 0.91 XIAP (0.46) XIAPPOLBPTPN1NTSR1KMT2A
SCHEMBL2863597 0.88 XIAP (0.42) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2863594 0.88 XIAP (0.42) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL23071552 0.86 XIAP (0.47) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2868839 0.86 XIAP (0.47) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL29790154 0.86 XIAP (0.47) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2868843 0.86 XIAP (0.47) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL31195358 0.86 XIAP (0.54) XIAPPOLBPTPN1NTSR1OPRD1

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 7 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
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