SCHEMBL28606126

SCHEMBL28606126

COC(=O)CCC(NC(=O)OCc1ccccc1)P(=O)(O)CCC(CCCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.43
▸ ECE1 P42892 9/20 0.43
▸ MME P08473 8/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ KYNU Q16719 1/20 0.42
▸ KLK8 O60259 2/20 0.42
▸ F2 P00734 2/20 0.42
▸ PLG P00747 2/20 0.42
▸ PLAU P00749 2/20 0.42
▸ PLAT P00750 2/20 0.42
▸ KLK1 P06870 2/20 0.42
▸ KLK4 Q9Y5K2 2/20 0.42
▸ 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
SCHEMBL23881683 0.89 MMP8 (0.52) MMP8MMP14ACE2ECE1MME
SCHEMBL23881850 0.87 ACE2 (0.50) MMP8MMP14ACE2ECE1MME
SCHEMBL23881665 0.81 ECE1 (0.50) MMP8MMP14ACE2ECE1MME
SCHEMBL23881812 0.81 ACE2 (0.52) ACE2ECE1MMEKYNU
SCHEMBL23881888 0.80 ECE1 (0.57) MMP8MMP14ACE2ECE1MME
SCHEMBL23881893 0.79 ACE2 (0.48) MMP8MMP14ACE2ECE1MME
SCHEMBL23881969 0.79 ACE2 (0.55) MMP8MMP14ACE2ECE1MME
SCHEMBL23881738 0.78 CASP1 (0.51) MMP8MMP14ACE2ECE1MME
SCHEMBL28606124 0.78 CASP1 (0.41) MMP8MMP14CASP1
SCHEMBL23881880 0.78 ATM (0.52) MMP8MMP14ACE2ECE1MME

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