SCHEMBL7361078

SCHEMBL7361078

CC(C)CCC(N)(C(=O)NC(C)(C)C)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CS(=O)(=O)CCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.36
MMP3 P08254 4/20 0.36
LAP3 P28838 2/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
MMP1 P03956 2/20 0.33
BCHE P06276 1/20 0.33
REN P00797 1/20 0.33
MMP9 P14780 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
SCHEMBL7357186 0.80 NPC1 (0.37) MMP2MMP3BCHEREN
SCHEMBL7395360 0.80 NPC1 (0.37) MMP2MMP3BCHEREN
SCHEMBL9240630 0.80 NPC1 (0.37) MMP2MMP3BCHEREN
SCHEMBL5394987 0.80 PSEN1 (0.40) MMP2MMP3BCHE
SCHEMBL7360777 0.78 HTT (0.44) BCHE
SCHEMBL7360787 0.78 HTT (0.44) BCHE
SCHEMBL8882496 0.77 PSEN1 (0.38) MMP2MMP3LAP3ANPEPRNPEP
SCHEMBL7318484 0.75 LAP3 (0.49) MMP2MMP3LAP3ANPEPRNPEP
SCHEMBL8729353 0.71 MMP2 (0.37) MMP2MMP3MMP1
SCHEMBL5412730 0.69 PSEN1 (0.42) BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed