SCHEMBL8549093

SCHEMBL8549093

O=C(CN1CCC[C@@H]1C(=O)NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
CTSK P43235 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL8549085 1.00 POLB (0.48) POLBCTSKGAAMEN1KMT2A
SCHEMBL8543316 0.89 CTSK (0.53) CTSKGAAMEN1KMT2AALDH1A1
SCHEMBL8543314 0.89 CTSK (0.53) CTSKGAAMEN1KMT2AALDH1A1
SCHEMBL8548835 0.86 CTSK (0.49) CTSKMEN1KMT2AALDH1A1MMP2
SCHEMBL8548841 0.86 CTSK (0.49) CTSKMEN1KMT2AALDH1A1MMP2
SCHEMBL8549103 0.85 ALDH1A1 (0.47) CTSKGAAMEN1KMT2AALDH1A1
SCHEMBL8549101 0.85 ALDH1A1 (0.47) CTSKGAAMEN1KMT2AALDH1A1
SCHEMBL8543070 0.85 CTSK (0.54) POLBCTSKMEN1KMT2AALDH1A1
SCHEMBL8549162 0.85 CTSK (0.55) POLBCTSKGAAMEN1KMT2A
SCHEMBL8544632 0.85 CTSK (0.48) CTSKALDH1A1LMNAMAPTKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed