SCHEMBL28597376

SCHEMBL28597376

COC(O)CCC(NC(=O)OCc1ccccc1)P(=O)(O)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.44
▸ PRTN3 P24158 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43
▸ F2 P00734 3/20 0.43
▸ PLAU P00749 3/20 0.43
▸ PLAT P00750 3/20 0.43
▸ MME P08473 5/20 0.42
▸ ECE1 P42892 5/20 0.42
▸ KYNU Q16719 1/20 0.42
▸ KLK8 O60259 2/20 0.42
▸ PLG P00747 2/20 0.42
▸ KLK1 P06870 2/20 0.42
▸ KLK4 Q9Y5K2 2/20 0.42
▸ PTGES O14684 1/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ KLK2 P20151 1/20 0.41

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
SCHEMBL23881692 0.89 PTGES (0.46) ELANEPRTN3ACE2F2PLAU
SCHEMBL23881906 0.87 MME (0.52) ELANEPRTN3ACE2F2PLAU
SCHEMBL28607881 0.87 NPC1 (0.45) ELANEPRTN3ACE2F2PLAU
SCHEMBL28610449 0.83 F2 (0.47) ELANEPRTN3ACE2F2PLAU
SCHEMBL23881757 0.82 NPC1 (0.47) ELANEPRTN3ACE2F2PLAU
SCHEMBL28598306 0.81 MEN1 (0.45) ACE2MMEECE1
SCHEMBL28601704 0.81 PLAU (0.43) ELANEPRTN3ACE2F2PLAU
SCHEMBL28597382 0.79 ATM (0.51) ELANEPRTN3ACE2F2PLAU
SCHEMBL23881677 0.78 F2 (0.49) ELANEPRTN3ACE2F2PLAU
SCHEMBL28606134 0.77 F2 (0.43) ELANEPRTN3ACE2F2PLAU

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-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 — — CN disclosed
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