SCHEMBL20578496

SCHEMBL20578496

CCOC(=O)C(CO)CC(Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 15/20 0.55
▸ MMEL1 Q495T6 5/20 0.50
▸ ACE P12821 7/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CTSL P07711 1/20 0.44

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
SCHEMBL18874680 1.00 MME (0.55) MMEMMEL1ACEKDM4EALDH1A1
SCHEMBL16930454 1.00 MME (0.55) MMEMMEL1ACEKDM4EALDH1A1
SCHEMBL18874681 0.93 MMEL1 (0.49) MMEMMEL1ACE
SCHEMBL16941027 0.91 MME (0.49) MMEMMEL1ACE
SCHEMBL16941514 0.91 MME (0.49) MMEMMEL1ACE
SCHEMBL20306304 0.90 MMEL1 (0.47) MMEMMEL1ACE
SCHEMBL11969730 0.90 MME (0.54) MMEMMEL1ACECTSL
SCHEMBL18411073 0.90 MME (0.54) MMEMMEL1ACECTSL
SCHEMBL11970064 0.90 MME (0.54) MMEMMEL1ACECTSL
SCHEMBL11969971 0.89 MME (0.70) MMEMMEL1ACE

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-3099678-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-12-12 — — EP disclosed
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