SCHEMBL28565794

SCHEMBL28565794

CCCNNC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.57
ACE P12821 9/20 0.56
CPA1 P15085 9/20 0.56
ACE2 Q9BYF1 9/20 0.56
MMP2 P08253 1/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL2778931 0.90 POLB (0.52) MMEACECPA1ACE2MMP2
SCHEMBL2778934 0.90 POLB (0.52) MMEACECPA1ACE2MMP2
SCHEMBL2779520 0.80 PPARG (0.42) MMEACECPA1ACE2
SCHEMBL2778117 0.80 PPARG (0.42) MMEACECPA1ACE2
SCHEMBL3259775 0.80 MME (0.57) MMEACECPA1ACE2MMP2
SCHEMBL3259764 0.80 MME (0.57) MMEACECPA1ACE2MMP2
SCHEMBL22457647 0.79 MME (0.67) MMEACECPA1ACE2
SCHEMBL2777020 0.79 POLB (0.54) HDAC3HDAC1HDAC2
SCHEMBL15692406 0.79 PSMB5 (0.66) MMEACECPA1ACE2HDAC3
SCHEMBL15692319 0.78 PSMB5 (0.64) MMEACECPA1ACE2MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679575-B Perylene bisimide-glycopeptide self-assembly anti-freezing compound and preparation method and application thereof 河北大学 2022-08-16 CN disclosed
CN-112679575-A Perylene bisimide-glycopeptide self-assembly anti-freezing compound and preparation method and application thereof 河北大学 2021-04-20 CN disclosed