SCHEMBL28674530

SCHEMBL28674530

O=C(CCC(NC(=O)OCc1ccccc1)P(=O)(O)CCCC(F)(F)F)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 12/20 0.46
▸ MME P08473 10/20 0.46
▸ ACE2 Q9BYF1 1/20 0.45
▸ OPRK1 P41145 2/20 0.43
▸ KLK8 O60259 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ KLK1 P06870 1/20 0.43
▸ KLK4 Q9Y5K2 1/20 0.43
▸ MMP8 P22894 1/20 0.42
▸ MMP14 P50281 1/20 0.42

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
SCHEMBL23881979 0.85 ACE2 (0.53) ECE1MMEACE2MMP8MMP14
SCHEMBL23881665 0.85 ECE1 (0.50) ECE1MMEACE2KLK8F2
SCHEMBL23881985 0.84 ACE2 (0.53) ECE1MMEACE2MMP8MMP14
SCHEMBL23881970 0.84 MEN1 (0.54) ECE1MME
SCHEMBL23881969 0.83 ACE2 (0.55) ECE1MMEACE2MMP8MMP14
SCHEMBL23881738 0.82 CASP1 (0.51) ECE1MMEACE2KLK8F2
SCHEMBL23881706 0.81 TGM2 (0.45) ECE1MMEACE2
SCHEMBL23881683 0.81 MMP8 (0.52) ECE1MMEACE2KLK8F2
SCHEMBL23881862 0.81 MMP14 (0.43) ECE1MMEACE2KLK8F2
SCHEMBL23881984 0.80 CASP1 (0.47) ECE1MMEACE2

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-113166180-A Novel aminophosphine derivatives as aminopeptidase A inhibitors 量子基因公司 2021-07-23 — — CN disclosed
Send feedback