SCHEMBL16615856

SCHEMBL16615856

CC(O)[C@@H]1NC[C@@H](NC(=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(=O)[C@H](CO)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
SSTR5 P35346 2/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
MC1R Q01726 1/20 0.40
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
SSTR1 P30872 4/20 0.38
SSTR3 P32745 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FURIN P09958 1/20 0.36
MLLT3 P42568 1/20 0.36
MLLT1 Q03111 1/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL16615753 0.87 SRC (0.45) SRCSSTR5SSTR2SSTR4MC1R
SCHEMBL16615751 0.86 SSTR5 (0.47) SRCSSTR5SSTR2SSTR4MC1R
SCHEMBL16615853 0.81 MLLT3 (0.35) SRCSSTR5SSTR2SSTR4MC1R
SCHEMBL16615869 0.79 SRC (0.46) SRCMC1RMMP1MMP2MMP3
SCHEMBL16615864 0.78 SSTR5 (0.50) SRCSSTR5SSTR2SSTR4MC1R
SCHEMBL16691453 0.78 SRC (0.48) SRCSSTR5SSTR2SSTR4MC1R
SCHEMBL16691478 0.77 SRC (0.51) SRCSSTR5SSTR2SSTR4MC1R
SCHEMBL16615868 0.77 MC1R (0.45) SRCSSTR5SSTR2SSTR4MC1R
SCHEMBL16615854 0.77 SSTR2 (0.50) SRCSSTR5SSTR2SSTR4MC1R
SCHEMBL16615594 0.76 MC1R (0.46) SRCSSTR5SSTR2SSTR4MC1R

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