SCHEMBL3397755

SCHEMBL3397755

CC(C)(C)C1CC(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.39
LPL P06858 1/20 0.39
CCR3 P51677 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ROCK1 Q13464 1/20 0.33
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12803300 0.84 TACR1 (0.40) LIPGLPL
SCHEMBL25425656 0.80 LIPG (0.40) LIPGLPLKMT2AMEN1ALDH1A1
SCHEMBL15639975 0.79 CHRM3 (0.34)
SCHEMBL20893524 0.77 ROCK1 (0.38) ROCK1
SCHEMBL1363539 0.77 USP30 (0.48) LIPGLPLGAALMNASMN1; SMN2
SCHEMBL16101170 0.76 F2 (0.33) LIPGROCK1
SCHEMBL1362568 0.76 LIPG (0.50) LIPGLPLCCR3LMNASMN1; SMN2
SCHEMBL13700132 0.75 LIPG (0.57) LIPGLPLROCK1
SCHEMBL2549987 0.74 CCR3 (0.40) CCR3KMT2AMEN1ALDH1A1LMNA
SCHEMBL3478584 0.74 NR1H2 (0.39) ROCK1FAAH

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-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed