SCHEMBL14959406

SCHEMBL14959406

CCOC(=O)CC(Cc1ccc(-c2cc(F)ccc2Cl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 4/20 0.43
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ ATM Q13315 1/20 0.39
▸ MME P08473 8/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ACE P12821 1/20 0.37

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
SCHEMBL12975716 1.00 MMEL1 (0.43) MMEL1CTSSCTSKATMMME
SCHEMBL10197522 0.91 MMEL1 (0.52) MMEL1ATMMMECACNA1BKDM4E
SCHEMBL8581787 0.90 MMEL1 (0.44) MMEL1CTSSCTSKATMMME
SCHEMBL2878350 0.89 MMEL1 (0.55) MMEL1CTSSCTSKATMMME
SCHEMBL10198332 0.88 MMEL1 (0.58) MMEL1CTSSCTSKATMMME
SCHEMBL16133117 0.87 MMEL1 (0.45) MMEL1MME
SCHEMBL8552371 0.86 MME (0.50) MMEL1MMEACE
SCHEMBL12975711 0.84 MME (0.52) MMEL1CTSSCTSKATMMME
SCHEMBL14952845 0.83 MMEL1 (0.64) MMEL1MME
SCHEMBL12974944 0.83 MMEL1 (0.56) MMEL1MME

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
EP-2594557-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 — — EP disclosed
EP-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 — — EP disclosed
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