SCHEMBL16974299

SCHEMBL16974299

CCCCOC(=O)NOC(=O)C(C)(CCCc1ccc(-c2cc(Cl)ccc2F)cc1)COCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 10/20 0.39
▸ ACE P12821 1/20 0.37
▸ S1PR1 P21453 4/20 0.37
▸ AGTR2 P50052 2/20 0.37
▸ S1PR3 Q99500 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL15564595 0.80 MMP2 (0.41) MMES1PR1AGTR2S1PR3SMN1; SMN2
SCHEMBL15563645 0.79 MMEL1 (0.44) MMES1PR1
SCHEMBL16975133 0.79 MME (0.42) MMEACES1PR1AGTR2SMN1; SMN2
SCHEMBL19355072 0.77 MME (0.45) MMEACE
SCHEMBL16974296 0.76 MMP2 (0.43) MMEACEAGTR2
SCHEMBL12481770 0.75 MME (0.42) MMEACES1PR1S1PR3
SCHEMBL16974298 0.75 MME (0.37) MMEACESMN1; SMN2HDAC3HDAC1
SCHEMBL18000007 0.75 MME (0.45) MMEACE
SCHEMBL15563835 0.73 MME (0.44) MMEACEAGTR2
SCHEMBL18000010 0.73 MME (0.45) MMEACESMN1; SMN2HDAC3HDAC1

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-3099668-A1 5-BIPHENYL-4-HETEROARYLCARBONYLAMINO-PENTANOIC ACID DERIVATIVES AS NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2016-12-07 — — EP disclosed
WO-2015116760-A1 5-BIPHENYL-4-HETEROARYLCARBONYLAMINO-PENTANOIC ACID DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-06 — — WO disclosed
Send feedback