SCHEMBL1912658

SCHEMBL1912658

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(-c2cccc(Cl)c2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 12/20 0.53
▸ MME P08473 7/20 0.52
▸ CTSL P07711 1/20 0.51
▸ FFAR2 O15552 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ ATM Q13315 1/20 0.43

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
SCHEMBL1912590 0.88 MMEL1 (0.67) MMEL1MMEACE
SCHEMBL1519856 0.86 CTSL (0.62) MMEL1MMECTSLFFAR2ACE
SCHEMBL742226 0.86 CTSL (0.62) MMEL1MMECTSLFFAR2ACE
SCHEMBL742227 0.86 CTSL (0.62) MMEL1MMECTSLFFAR2ACE
SCHEMBL740615 0.83 ATM (0.49) MMEL1MMECTSLATM
SCHEMBL740616 0.83 ATM (0.49) MMEL1MMECTSLATM
SCHEMBL1519890 0.83 ATM (0.49) MMEL1MMECTSLATM
SCHEMBL2878307 0.81 MMEL1 (0.67) MMEL1MMEATM
SCHEMBL740779 0.80 MME (0.56) MMEL1MMECTSLFFAR2ACE
SCHEMBL5966601 0.80 MME (0.56) MMEL1MMECTSLFFAR2ACE

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-2435409-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 — — EP disclosed
WO-2010136493-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 — — WO disclosed
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