SCHEMBL29045685

SCHEMBL29045685

CC(C)CC(NC(=O)C(C)NC=O)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.58
MMP2 P08253 1/20 0.56
MMP7 P09237 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
ACE P12821 4/20 0.55
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
CAPN1 P07384 1/20 0.53

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
SCHEMBL29045684 1.00 MME (0.58) MMEMMP2MMP7MMP9MMP12
SCHEMBL1436847 0.92 MME (0.58) MMEMMP2MMP7MMP9MMP12
SCHEMBL2873585 0.91 MME (0.62) MMEMMP2MMP7MMP9MMP12
SCHEMBL23616285 0.87 MME (0.55) MMEMMP2MMP7MMP9MMP12
SCHEMBL13494637 0.86 MME (0.55) MMEMMP2MMP7MMP9MMP12
SCHEMBL1477244 0.85 MME (0.54) MMEMMP2MMP7MMP9MMP12
SCHEMBL8727951 0.85 MME (0.54) MMEMMP2MMP7MMP9MMP12
SCHEMBL9387432 0.85 MME (0.61) MMEMMP2MMP7MMP9MMP12
SCHEMBL8532925 0.85 MME (0.61) MMEMMP2MMP7MMP9MMP12
SCHEMBL15649671 0.84 MME (0.67) MMEMMP2MMP7MMP9MMP12

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-109387636-B Method for testing basophil activation 欧蒙医学实验诊断股份公司 2023-07-04 CN disclosed