SCHEMBL17993645

SCHEMBL17993645

CCCOC(=O)C[C@@H](Cc1ccc(-c2cccc(C)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.51
▸ MMEL1 Q495T6 4/20 0.47
▸ CTSS P25774 2/20 0.44
▸ CTSK P43235 2/20 0.44
▸ ATM Q13315 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ ITGB3 P05106 3/20 0.39
▸ ITGAV P06756 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ APP P05067 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL12975086 0.90 MMEL1 (0.59) MMEMMEL1
SCHEMBL17751396 0.86 MME (0.48) MMEMMEL1CTSSCTSKATM
SCHEMBL12975711 0.85 MME (0.52) MMEMMEL1CTSSCTSKATM
SCHEMBL14952979 0.84 MMEL1 (0.67) MMEMMEL1
SCHEMBL12975100 0.84 MMEL1 (0.67) MMEMMEL1
SCHEMBL1912622 0.84 CTSS (0.55) MMEMMEL1CTSSCTSKATM
SCHEMBL1912621 0.84 CTSS (0.55) MMEMMEL1CTSSCTSKATM
SCHEMBL2779899 0.83 MMEL1 (0.62) MMEMMEL1
SCHEMBL2779890 0.83 MMEL1 (0.62) MMEMMEL1
SCHEMBL2865937 0.81 CTSS (0.50) CTSSCTSKATMCTSBKLK5

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
EP-2594557-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 — — EP disclosed
Send feedback