SCHEMBL28601704

SCHEMBL28601704

O=C(NC(CCC(O)OCc1ccccc1)P(=O)(O)Cc1cccc(OC(F)(F)F)c1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 6/20 0.43
▸ F2 P00734 5/20 0.43
▸ PLAT P00750 5/20 0.43
▸ PLG P00747 4/20 0.42
▸ KLK1 P06870 3/20 0.42
▸ KLK8 O60259 3/20 0.42
▸ KLK4 Q9Y5K2 3/20 0.42
▸ ELANE P08246 2/20 0.42
▸ PRTN3 P24158 1/20 0.42
▸ F10 P00742 2/20 0.41
▸ KLK2 P20151 2/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ MME P08473 2/20 0.40
▸ ECE1 P42892 2/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ TP53 P04637 1/20 0.39

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
SCHEMBL28606123 0.91 ENPP2 (0.42) PLAUF2PLATPLGKLK1
SCHEMBL28607881 0.88 NPC1 (0.45) PLAUF2PLATPLGKLK1
SCHEMBL23881774 0.88 F2 (0.45) PLAUF2PLATPLGKLK1
SCHEMBL28598306 0.84 MEN1 (0.45) MMEECE1ACE2
SCHEMBL28610449 0.83 F2 (0.47) PLAUF2PLATPLGKLK1
SCHEMBL28596357 0.82 MME (0.41) MMEECE1ACE2
SCHEMBL28597376 0.81 ELANE (0.44) PLAUF2PLATPLGKLK1
SCHEMBL28597382 0.81 ATM (0.51) PLAUF2PLATELANEPRTN3
SCHEMBL28607514 0.80 ACE2 (0.46) PLAUF2PLATELANEPRTN3
SCHEMBL28919371 0.80 MMP14 (0.41) PLAUF2PLATPLGKLK1

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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