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SCHEMBL16615919

SCHEMBL16615919

CC(O)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)CN(N)[C@@H](Cc2ccccc2)C(N)=O)CCCCNC(=O)CC[C@H](N(N)C(=O)[C@@H](N)CO)C(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.39
▸ MMP2 P08253 4/20 0.39
▸ MMP3 P08254 4/20 0.39
▸ MMP9 P14780 4/20 0.39
▸ MMP8 P22894 4/20 0.39
▸ MC1R Q01726 1/20 0.38
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ SSTR1 P30872 3/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ TERF2 Q15554 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL16615878 0.92 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16615764 0.81 MC1R (0.46) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16615868 0.78 MC1R (0.45) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16615885 0.75 SSTR1 (0.37) MC1ROPRM1OPRD1OPRK1SSTR1
SCHEMBL16615750 0.74 SRC (0.47) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16615751 0.73 SSTR5 (0.47) MC1RSSTR2SSTR4SSTR5SRC
SCHEMBL16615856 0.73 SRC (0.42) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16615853 0.73 MLLT3 (0.35) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16615864 0.73 SSTR5 (0.50) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16615743 0.72 TERF2 (0.42) MC1RSSTR2SSTR4SSTR5SRC

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