SCHEMBL968405

SCHEMBL968405

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 2/20 0.36
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 2/20 0.33
NAAA Q02083 1/20 0.33
EPHX1 P07099 1/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CCR3 P51677 1/20 0.32
GAA P10253 1/20 0.31
AR P10275 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL968408 1.00 L3MBTL1 (0.38) L3MBTL1MGLLADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL4440644 0.84 L3MBTL1 (0.42) L3MBTL1MGLLADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL4440649 0.84 L3MBTL1 (0.42) L3MBTL1MGLLADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL12920133 0.83 L3MBTL1 (0.39) L3MBTL1MGLLADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL3604532 0.73 L3MBTL1 (0.40) L3MBTL1MGLLADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL3604530 0.73 L3MBTL1 (0.40) L3MBTL1MGLLADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL13503017 0.72 KMT2A (0.44) L3MBTL1MGLLADAMTS4ADAMTS5SMN1; SMN2
SCHEMBL12992019 0.72 MGLL (0.48) L3MBTL1MGLLADAMTS4ADAMTS5ALDH1A1
SCHEMBL970172 0.72 METAP2 (0.34)
SCHEMBL3601068 0.69 L3MBTL1 (0.40) L3MBTL1MGLLADAMTS4ADAMTS5SMN1; SMN2

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
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed