SCHEMBL28389112

SCHEMBL28389112

CC(CC(Cc1ccc(-c2ccccc2)cc1)N1C(=C=O)CCC1=C=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 0.50
▸ ACE P12821 9/20 0.50
▸ MMEL1 Q495T6 4/20 0.46

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
SCHEMBL28390960 0.88 MME (0.38) MMEACE
SCHEMBL28389111 0.84 MME (0.53) MMEACEMMEL1
SCHEMBL28412302 0.84 MME (0.53) MMEACEMMEL1
SCHEMBL28632027 0.80 MME (0.54) MMEACEMMEL1
SCHEMBL28632025 0.80 MME (0.54) MMEACEMMEL1
SCHEMBL16948243 0.73 MME (0.63) MMEACEMMEL1
SCHEMBL4020585 0.73 MME (0.63) MMEACEMMEL1
SCHEMBL7507834 0.73 MME (0.63) MMEACEMMEL1
SCHEMBL22996235 0.72 ALDH1A1 (0.43) MMEACE
SCHEMBL28390958 0.72 ALDH1A1 (0.43) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107216277-B Preparation method of LCZ696 medicine impurity 东南大学 2020-04-24 — — CN claimed
CN-107216277-B Preparation method of LCZ696 medicine impurity 东南大学 2020-04-24 — — CN disclosed
CN-107216277-B Preparation method of LCZ696 medicine impurity 东南大学 2020-04-24 — — CN disclosed
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