SCHEMBL16615915

SCHEMBL16615915

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.47
NPY4R P50391 5/20 0.42
MC1R Q01726 1/20 0.42
STAT3 P40763 1/20 0.41
CCKBR P32239 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
APLNR P35414 1/20 0.41
REN P00797 2/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 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
SCHEMBL16615904 0.93 SRC (0.48) SRCNPY4RMC1RSTAT3CCKBR
SCHEMBL16615860 0.91 SRC (0.46) SRCNPY4RMC1RSTAT3CCKBR
SCHEMBL16691478 0.88 SRC (0.51) SRCNPY4RMC1RSTAT3CCKBR
SCHEMBL16691476 0.85 SRC (0.49) SRCNPY4RSTAT3CCKBRPOLB
SCHEMBL16691453 0.85 SRC (0.48) SRCNPY4RMC1RSTAT3CCKBR
SCHEMBL16691494 0.85 SRC (0.49) SRCNPY4RMC1RSTAT3CCKBR
SCHEMBL16691495 0.84 SRC (0.48) SRCNPY4RSTAT3CCKBRPOLB
SCHEMBL16615859 0.83 SRC (0.48) SRCNPY4RMC1RSTAT3CCKBR
SCHEMBL16691493 0.83 SRC (0.51) SRCNPY4RMC1RSTAT3CCKBR
SCHEMBL16691496 0.83 SIRT2 (0.47) SRCNPY4RCCKBRKDM1ARCOR1

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