SCHEMBL19190318

SCHEMBL19190318

CC(C)OC(=O)OCOC(=O)C(O)Cc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 16/20 0.57
▸ ACE P12821 8/20 0.57
▸ MMEL1 Q495T6 5/20 0.43
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 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
SCHEMBL18724863 0.90 MME (0.57) MMEACEMMEL1ADRB1ADRB3
SCHEMBL17011196 0.90 MME (0.57) MMEACEMMEL1ADRB1ADRB3
SCHEMBL18724860 0.83 MME (0.63) MMEACEMMEL1
SCHEMBL17011373 0.83 MME (0.63) MMEACEMMEL1
SCHEMBL17011201 0.78 MME (0.65) MMEACEMMEL1
SCHEMBL18724746 0.78 MME (0.65) MMEACEMMEL1
SCHEMBL18724846 0.78 MME (0.50) MMEACEMMEL1
SCHEMBL17011205 0.78 MME (0.50) MMEACEMMEL1
SCHEMBL1768194 0.78 GPR34 (0.56) MMEACEMMEL1
SCHEMBL1768190 0.78 GPR34 (0.56) 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
EP-3199517-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2017-08-02 — — EP disclosed
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