SCHEMBL28999980

SCHEMBL28999980

CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CCl)C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.55
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP3A5 P20815 2/20 0.51
CYP3A7 P24462 2/20 0.51
CYP3A43 Q9HB55 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TMPRSS11D O60235 1/20 0.49
CTRL P40313 1/20 0.49
PSMB5 P28074 4/20 0.48
PSMB11 A5LHX3 1/20 0.48
PSMD11 O00231 1/20 0.48
PSMD12 O00232 1/20 0.48
PSMD14 O00487 1/20 0.48

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
SCHEMBL28999982 0.94 REN (0.53) RENMMP1MMP3MMP9CYP3A4
SCHEMBL13893311 0.90 BIRC2 (0.54) RENCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL84540 0.90 BIRC2 (0.54) RENCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL19474595 0.90 BIRC2 (0.54) RENCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL17629488 0.87 ACE (0.55) MMP3MMP9CYP3A4CYP3A5CYP3A7
SCHEMBL17629489 0.87 ACE (0.55) MMP3MMP9CYP3A4CYP3A5CYP3A7
SCHEMBL2633256 0.87 ACE (0.55) MMP3MMP9CYP3A4CYP3A5CYP3A7
SCHEMBL16254086 0.86 TMPRSS11D (0.48) MMP1MMP3CYP3A4CYP3A5CYP3A7
SCHEMBL28599750 0.84 CTSK (0.53) RENMMP1MMP3MMP9POLB
SCHEMBL15624933 0.84 MAPT (0.57) MMP1MMP3MMP9POLBMAPT

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
CN-113024637-B Method for preparing carfilzomib by taking water-soluble alkynylamide as condensing agent 江西师范大学 2023-05-16 CN disclosed