SCHEMBL9941097

SCHEMBL9941097

Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 16/20 0.51
▸ ACE P12821 8/20 0.51
▸ CTSL P07711 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MMEL1 Q495T6 1/20 0.41

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
SCHEMBL9930052 0.88 MME (0.45) MMEACECTSKMMEL1
SCHEMBL9929930 0.81 MME (0.56) MMEMMEL1
SCHEMBL9941284 0.80 FOLH1 (0.42) MMEACE
SCHEMBL9929680 0.80 FOLH1 (0.42) MMEACE
SCHEMBL14890642 0.80 MME (0.69) MMEACEMMEL1
SCHEMBL18597877 0.80 MME (0.69) MMEACEMMEL1
SCHEMBL15464073 0.79 MME (0.55) MME
SCHEMBL9929999 0.78 MME (0.66) MME
SCHEMBL14900576 0.78 MME (0.59) MMEACEMMEL1
SCHEMBL15464105 0.77 MME (0.68) MME

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-2651896-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-10-23 — — EP disclosed
WO-2012082853-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — WO disclosed
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