SCHEMBL4447330

SCHEMBL4447330

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.46
POLB P06746 1/20 0.39
NTSR2 O95665 5/20 0.35
NTSR1 P30989 5/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CAPN1 P07384 2/20 0.35
DPP4 P27487 3/20 0.34
CTSB P07858 1/20 0.34
SORT1 Q99523 3/20 0.34
PTPN1 P18031 1/20 0.34
F2 P00734 2/20 0.34
REN P00797 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL4447323 1.00 XIAP (0.46) XIAPPOLBNTSR2NTSR1KMT2A
SCHEMBL2864434 0.91 XIAP (0.42) XIAPPOLBNTSR2NTSR1KMT2A
SCHEMBL2864439 0.91 XIAP (0.42) XIAPPOLBNTSR2NTSR1KMT2A
SCHEMBL2866457 0.85 XIAP (0.50) XIAPPOLBNTSR2NTSR1KMT2A
SCHEMBL2866462 0.85 XIAP (0.50) XIAPPOLBNTSR2NTSR1KMT2A
SCHEMBL30052896 0.82 XIAP (0.64) XIAPPOLBKMT2AL3MBTL1DPP4
SCHEMBL23071546 0.81 XIAP (0.50) XIAPPOLBNTSR2NTSR1KMT2A
SCHEMBL2863596 0.81 XIAP (0.50) XIAPPOLBNTSR2NTSR1KMT2A
SCHEMBL2863604 0.81 XIAP (0.50) XIAPPOLBNTSR2NTSR1KMT2A
SCHEMBL29790147 0.81 XIAP (0.50) XIAPPOLBNTSR2NTSR1KMT2A

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-20090215702-A1 Uv-Induced Dermatitis Inhibitor and Atopic Dermatitis Inhibitor NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-08-27 US disclosed