SCHEMBL18040125

SCHEMBL18040125

CCOC(=O)[C@@H](O)C[C@H](N)Cc1ccc(-c2cc(Cl)ccc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 20/20 0.55
▸ ACE P12821 1/20 0.52

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
SCHEMBL16939240 1.00 MME (0.55) MMEACE
SCHEMBL17980192 1.00 MME (0.55) MMEACE
SCHEMBL18724753 1.00 MME (0.55) MMEACE
SCHEMBL16939260 0.90 MME (0.63) MMEACE
SCHEMBL16979113 0.90 MME (0.63) MMEACE
SCHEMBL18597832 0.90 MMEL1 (0.46) MMEACE
SCHEMBL14919312 0.90 MMEL1 (0.46) MMEACE
SCHEMBL14891060 0.90 MMEL1 (0.46) MMEACE
SCHEMBL18010010 0.89 MME (0.55) MMEACE
SCHEMBL12317524 0.89 MME (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433598-B2 (2S,4R)-5-(5′-chloro-2′-fluorobiphenyl-4-yl)-4-(ethoxyoxalylamino)-2-hydroxymethyl-2-methylpentanoic acid THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-09-06 — — US disclosed
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