SCHEMBL19771840

SCHEMBL19771840

CC(CCO)(C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)C(O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 19/20 0.52
▸ ACE P12821 4/20 0.52
▸ MMEL1 Q495T6 1/20 0.45

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
SCHEMBL19705879 0.90 MME (0.48) MMEACEMMEL1
SCHEMBL18685543 0.90 MME (0.67) MMEACEMMEL1
SCHEMBL23055274 0.90 MME (0.67) MMEACEMMEL1
SCHEMBL18922667 0.87 MME (0.51) MMEACEMMEL1
SCHEMBL19688029 0.87 MME (0.51) MMEACEMMEL1
SCHEMBL19771825 0.85 MME (0.55) MMEACEMMEL1
SCHEMBL18685531 0.85 MME (0.55) MMEACEMMEL1
SCHEMBL19788083 0.83 MME (0.56) MMEACEMMEL1
SCHEMBL24350779 0.83 MME (0.56) MMEACEMMEL1
SCHEMBL19687852 0.82 MME (0.45) MMEACEMMEL1

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-9868698-B2 (2S,4R)-5-(5′-chloro-2′-fluorobiphenyl-4-yl)-4-(ethoxyoxalylamino)-2-hydroxymethyl-2-methylpentanoic acid THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-16 — — US disclosed
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