SCHEMBL16615853

SCHEMBL16615853

CC(O)[C@@H]1NC(=O)[C@@H](N(N)C(=O)[C@@H](N)CO)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N(N)[C@@H](Cc2ccccc2)C(N)=O)NC[C@H](CO)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 2/20 0.35
MLLT1 Q03111 1/20 0.35
SRC P12931 1/20 0.35
SSTR5 P35346 3/20 0.34
SSTR2 P30874 2/20 0.34
SSTR4 P31391 2/20 0.34
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MC1R Q01726 1/20 0.34
CCKBR P32239 1/20 0.33
KLK7 P49862 1/20 0.32
SSTR1 P30872 2/20 0.32
SSTR3 P32745 1/20 0.32
STAT3 P40763 1/20 0.31

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
SCHEMBL16615856 0.81 SRC (0.42) MLLT3MLLT1SRCSSTR5SSTR2
SCHEMBL16615755 0.80 STAT3 (0.43) MLLT3MLLT1SRCSSTR5SSTR2
SCHEMBL16615752 0.77 SRC (0.40) MLLT3MLLT1SRCSSTR5SSTR2
SCHEMBL16615920 0.76 MMP1 (0.38) MLLT3MLLT1SRCMMP1MMP2
SCHEMBL16615751 0.75 SSTR5 (0.47) MLLT3MLLT1SRCSSTR5SSTR2
SCHEMBL16615893 0.74 MMP1 (0.39) MLLT3MLLT1SRCMMP1MMP2
SCHEMBL16615919 0.73 MMP1 (0.39) SRCSSTR5SSTR2SSTR4MMP1
SCHEMBL16615878 0.72 MMP1 (0.39) SRCSSTR5SSTR2SSTR4MMP1
SCHEMBL16691453 0.71 SRC (0.48) MLLT3MLLT1SRCSSTR5SSTR2
SCHEMBL16615762 0.70 SRC (0.43) SRCSSTR5SSTR2SSTR4MMP1

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
WO-2015044900-A1 THERAPEUTIC IMMUNOMODULATING COMPOUNDS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-04-02 WO disclosed