SCHEMBL16615859

SCHEMBL16615859

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
SSTR2 P30874 1/20 0.44
SSTR4 P31391 1/20 0.44
SSTR5 P35346 1/20 0.44
CCKBR P32239 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MLLT3 P42568 2/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
NPY4R P50391 5/20 0.41
STAT3 P40763 2/20 0.41
MC1R Q01726 1/20 0.41
MLLT1 Q03111 1/20 0.40
SSTR1 P30872 2/20 0.40
SSTR3 P32745 1/20 0.40

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
SCHEMBL16691478 0.93 SRC (0.51) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16691494 0.91 SRC (0.49) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16615752 0.90 SRC (0.40) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16691476 0.90 SRC (0.49) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16691453 0.90 SRC (0.48) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16615904 0.90 SRC (0.48) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16691493 0.89 SRC (0.51) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16691495 0.89 SRC (0.48) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16691466 0.87 SRC (0.47) SRCSSTR2SSTR4SSTR5CCKBR
SCHEMBL16691480 0.87 SRC (0.46) SRCSSTR2SSTR4SSTR5CCKBR

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