SCHEMBL28610449

SCHEMBL28610449

O=C(NC(CCC(O)OCc1ccccc1)P(=O)(O)Cc1ccc(Oc2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.47
▸ PLAU P00749 5/20 0.47
▸ PLAT P00750 5/20 0.47
▸ PLG P00747 4/20 0.45
▸ KLK8 O60259 3/20 0.45
▸ KLK4 Q9Y5K2 3/20 0.45
▸ KLK1 P06870 3/20 0.45
▸ F10 P00742 2/20 0.45
▸ KLK2 P20151 2/20 0.45
▸ ELANE P08246 2/20 0.44
▸ PRTN3 P24158 1/20 0.44
▸ MME P08473 7/20 0.43
▸ ECE1 P42892 6/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ MMP13 P45452 1/20 0.43

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
SCHEMBL28597382 0.91 ATM (0.51) F2PLAUPLATELANEPRTN3
SCHEMBL28607514 0.89 ACE2 (0.46) F2PLAUPLATELANEPRTN3
SCHEMBL28606123 0.89 ENPP2 (0.42) F2PLAUPLATPLGKLK8
SCHEMBL28606134 0.87 F2 (0.43) F2PLAUPLATPLGKLK8
SCHEMBL23881677 0.87 F2 (0.49) F2PLAUPLATPLGKLK8
SCHEMBL28603332 0.86 MME (0.42) F2PLAUPLATMMEECE1
SCHEMBL28607881 0.85 NPC1 (0.45) F2PLAUPLATPLGKLK8
SCHEMBL28607517 0.85 ACE2 (0.43) F2PLAUPLATMMEECE1
SCHEMBL28597376 0.83 ELANE (0.44) F2PLAUPLATPLGKLK8
SCHEMBL28598306 0.83 MEN1 (0.45) 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-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 — — CN disclosed
Send feedback