SCHEMBL28603333

SCHEMBL28603333

O=C(NC(CCC(O)OCc1ccccc1)P(=O)(O)Cc1cccc2ccccc12)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 6/20 0.48
▸ ACP3 P15309 1/20 0.43
▸ MME P08473 7/20 0.42
▸ ECE1 P42892 6/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ KLK8 O60259 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ KLK1 P06870 1/20 0.42
▸ KLK2 P20151 1/20 0.42
▸ KLK4 Q9Y5K2 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 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
SCHEMBL23881868 0.88 MME (0.52) CASP1ACP3MMEECE1ACE2
SCHEMBL23881694 0.87 CASP1 (0.51) CASP1ACP3MMEECE1ACE2
SCHEMBL28598146 0.86 ACE2 (0.46) CASP1MMEECE1ACE2
SCHEMBL28607515 0.85 ACE2 (0.45) MMEECE1ACE2
SCHEMBL28606134 0.84 F2 (0.43) MMEECE1ACE2KLK8F2
SCHEMBL28598306 0.82 MEN1 (0.45) MMEECE1ACE2
SCHEMBL28607514 0.81 ACE2 (0.46) MMEECE1ACE2F2PLAU
SCHEMBL28610449 0.80 F2 (0.47) MMEECE1ACE2KLK8F2
SCHEMBL28607881 0.80 NPC1 (0.45) MMEECE1ACE2KLK8F2
SCHEMBL28597382 0.80 ATM (0.51) MMEECE1ACE2F2PLAU

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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