SCHEMBL28598306

SCHEMBL28598306

Cc1cccc(CP(=O)(O)C(CCC(O)OCc2ccccc2)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ ECE1 P42892 10/20 0.44
▸ MME P08473 9/20 0.44
▸ CTSK P43235 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL28607514 0.90 ACE2 (0.46) ACE2ECE1MME
SCHEMBL28607881 0.89 NPC1 (0.45) ACE2ECE1MME
SCHEMBL23881820 0.87 MEN1 (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL28596357 0.86 MME (0.41) ACE2ECE1MMECTSKCTSL
SCHEMBL28598146 0.85 ACE2 (0.46) ACE2ECE1MME
SCHEMBL28597382 0.84 ATM (0.51) ACE2ECE1MMECTSKCTSL
SCHEMBL28601704 0.84 PLAU (0.43) ACE2ECE1MME
SCHEMBL28610449 0.83 F2 (0.47) ACE2ECE1MME
SCHEMBL28607517 0.83 ACE2 (0.43) MAPTSMN1; SMN2ACE2ECE1MME
SCHEMBL28607515 0.82 ACE2 (0.45) LMNAMAPTACE2ECE1MME

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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