SCHEMBL28666960

SCHEMBL28666960

CCCCCCP(=O)(O)C(CCC(O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.51
▸ ECE1 P42892 3/20 0.51
▸ CETP P11597 3/20 0.50
▸ SIRT2 Q8IXJ6 7/20 0.46
▸ SIRT1 Q96EB6 5/20 0.46
▸ SIRT3 Q9NTG7 4/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ PRTN3 P24158 1/20 0.45

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
SCHEMBL28687468 0.90 ACE2 (0.50) MMEECE1ACE2PRTN3
SCHEMBL23881970 0.87 MEN1 (0.54) MMEECE1CETPSIRT2SIRT1
SCHEMBL28607514 0.81 ACE2 (0.46) MMEECE1ACE2PRTN3
SCHEMBL11163834 0.80 MME (0.55) MMEECE1CETPSIRT2SIRT1
SCHEMBL28598146 0.80 ACE2 (0.46) MMEECE1ACE2PRTN3
SCHEMBL28607515 0.79 ACE2 (0.45) MMEECE1ACE2
SCHEMBL28597382 0.79 ATM (0.51) MMEECE1ACE2CTSLCTSS
SCHEMBL28598306 0.79 MEN1 (0.45) MMEECE1ACE2CTSLCTSS
SCHEMBL28610449 0.78 F2 (0.47) MMEECE1ACE2PRTN3
SCHEMBL28607517 0.78 ACE2 (0.43) MMEECE1ACE2

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