SCHEMBL4971085

SCHEMBL4971085

C[C@@H](CC1CCCCC1)N(NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MGLL Q99685 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL4971079 1.00 L3MBTL1 (0.41) L3MBTL1MGLLGAANAAANPY5R
SCHEMBL3617574 0.77 NAAA (0.45) L3MBTL1MGLLGAANAAAKMT2A
SCHEMBL1864733 0.77 MGLL (0.44) L3MBTL1MGLLGAANAAAKMT2A
SCHEMBL1864730 0.77 MGLL (0.44) L3MBTL1MGLLGAANAAAKMT2A
SCHEMBL2993617 0.76 L3MBTL1 (0.41) L3MBTL1GAANAAAKMT2AMEN1
SCHEMBL7329621 0.73 GAA (0.52) MGLLGAASMN1; SMN2MAPTALDH1A1
SCHEMBL3404977 0.73 MGLL (0.51) MGLLGAAKMT2ASMN1; SMN2MAPT
SCHEMBL13503017 0.73 KMT2A (0.44) L3MBTL1MGLLGAANAAAKMT2A
SCHEMBL9996320 0.72 MGLL (0.43) L3MBTL1MGLLGAANAAAKMT2A
SCHEMBL13256223 0.71 MGLL (0.49) L3MBTL1MGLLGAANAAAKMT2A

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-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 — — EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 — — WO disclosed
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