SCHEMBL8830341

SCHEMBL8830341

CC(C)(C)OC(=O)C[C@H](NC(=O)CNC(=O)CC1(c2ccc(C(N)=S)cc2)OCCO1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
ROCK2 O75116 2/20 0.40
REN P00797 4/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMA5 P28066 1/20 0.37
PSMB4 P28070 1/20 0.37
PSMB6 P28072 1/20 0.37
PSMB5 P28074 1/20 0.37

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
SCHEMBL8830373 0.93 ROCK2 (0.40) MAPTTDP1ROCK2RENMMP1
Iodide SCHEMBL8830365 0.92 ROCK2 (0.39) MAPTTDP1ROCK2RENMMP1
Iodide SCHEMBL8830348 0.88 ROCK2 (0.40) MAPTTDP1ROCK2RENMMP1
SCHEMBL8830446 0.88 PSMB11 (0.43) MAPTTDP1ROCK2RENMMP1
SCHEMBL8438729 0.83 MEN1 (0.47) MAPTTDP1RENMMP1MMP3
SCHEMBL7302254 0.79 TDP1 (0.46) MAPTTDP1ROCK2RENMMP1
SCHEMBL7307254 0.78 MMP1 (0.49) MAPTTDP1RENMMP1MMP3
SCHEMBL7307169 0.77 CCKBR (0.44) MAPTTDP1RENMMP1MMP3
SCHEMBL9223666 0.76 REN (0.49) MAPTTDP1RENKLK5
Trifluoroacetic Acid SCHEMBL8830436 0.75 ITGB3 (0.46) OPRD1

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
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 US disclosed