SCHEMBL3455643

SCHEMBL3455643

CC(C)(O)C(C)(C)O.COC(=O)c1ccc(B(O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LCK P06239 1/20 0.38
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 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
SCHEMBL29952262 0.92 MAPK1 (0.61) MAPK1KDM4EL3MBTL1LCKGABRP
SCHEMBL364090 0.92 MAPK1 (0.61) MAPK1KDM4EL3MBTL1LCKGABRP
SCHEMBL25087412 0.81 GABRG2 (0.44) MAPK1KDM4EL3MBTL1GABRPGABRD
SCHEMBL14740520 0.78 MAPK1 (0.44) MAPK1KDM4EL3MBTL1ALDH1A1PARP1
SCHEMBL17212397 0.73 ALDH1A1 (0.44) MAPK1KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL29948107 0.73 P4HTM (0.57) MAPK1KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL3719519 0.73 P4HTM (0.57) MAPK1KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL29586464 0.72 PIP5K1C (0.41) MAPK1KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL1397745 0.72 MAPK1 (0.61) MAPK1KDM4EL3MBTL1LCKGABRP
SCHEMBL15465986 0.72 PIP5K1C (0.41) MAPK1KDM4EL3MBTL1ALDH1A1LMNA

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed