SCHEMBL9996320

SCHEMBL9996320

CC(C)(C)N(C(=O)O)[C@H](CNC(=O)Oc1ccc([N+](=O)[O-])cc1)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NAAA Q02083 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ EPHX1 P07099 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BCL9 O00512 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35

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
SCHEMBL8271206 0.79 MGLL (0.48) MGLLL3MBTL1ADAMTS4ADAMTS5ALDH1A1
SCHEMBL5505931 0.79 MGLL (0.46) MGLLL3MBTL1NAAAADAMTS4ADAMTS5
SCHEMBL1864733 0.79 MGLL (0.44) MGLLL3MBTL1NAAAADAMTS4ADAMTS5
SCHEMBL1864730 0.79 MGLL (0.44) MGLLL3MBTL1NAAAADAMTS4ADAMTS5
SCHEMBL31715409 0.74 ALDH1A1 (0.57) MGLLL3MBTL1ADAMTS4ADAMTS5ALDH1A1
SCHEMBL5511617 0.73 MGLL (0.53) MGLLL3MBTL1NAAAADAMTS4ADAMTS5
SCHEMBL9996323 0.73 MGLL (0.44) MGLLL3MBTL1ADAMTS4ADAMTS5ALDH1A1
SCHEMBL13503017 0.73 KMT2A (0.44) MGLLL3MBTL1NAAAADAMTS4ADAMTS5
SCHEMBL4971085 0.72 L3MBTL1 (0.41) MGLLL3MBTL1NAAAADAMTS4ADAMTS5
SCHEMBL4971079 0.72 L3MBTL1 (0.41) MGLLL3MBTL1NAAAADAMTS4ADAMTS5

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-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 — — EP disclosed
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