SCHEMBL28456478

SCHEMBL28456478

CC(C)OC(=O)C(C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.77
ACE P12821 6/20 0.77
MMEL1 Q495T6 2/20 0.63

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
SCHEMBL28456476 1.00 MME (0.77) MMEACEMMEL1
SCHEMBL17169605 0.91 MME (0.80) MMEACEMMEL1
SCHEMBL22556623 0.91 MME (0.80) MMEACEMMEL1
SCHEMBL18952136 0.91 MME (0.80) MMEACEMMEL1
Sacubitril SCHEMBL1908525 0.89 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL2707112 0.89 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL8214132 0.89 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL22420467 0.89 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL18574632 0.89 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL18059569 0.89 MME (0.77) MMEACEMMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN claimed
CN-111265518-A Composition containing a mixture of biphenyl derivatives and uses thereof 黄泳华 2020-06-12 CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN disclosed
CN-111265518-A Composition containing a mixture of biphenyl derivatives and uses thereof 黄泳华 2020-06-12 CN disclosed