SCHEMBL6170336

SCHEMBL6170336

COc1cc(OC)c2cc(-c3ccc(O)cc3)c(=O)n(CCC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
EGLN1 Q9GZT9 5/20 0.42
DYRK1A Q13627 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
ESRRA P11474 1/20 0.38
CMA1 P23946 1/20 0.38
RET P07949 1/20 0.38
MAPT P10636 1/20 0.38
ALDH2 P05091 1/20 0.38
XDH P47989 1/20 0.38
CHEK1 O14757 1/20 0.38
SRC P12931 1/20 0.38
WEE1 P30291 1/20 0.38

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
SCHEMBL6170913 0.94 KMO (0.48) KMOEGLN1DYRK1ACMA1MAPT
SCHEMBL7191760 0.91 DYRK1A (0.43) EGLN1DYRK1AHDAC6ESRRARET
SCHEMBL7813546 0.89 HDAC6 (0.41) HDAC6
SCHEMBL6170009 0.82 EGLN1 (0.42) EGLN1
SCHEMBL6181826 0.82 RET (0.48) HDAC6ESRRARETMAPTALDH2
SCHEMBL7200867 0.81 EGLN1 (0.44) EGLN1HDAC6MAPT
SCHEMBL6169951 0.81 TSPO (0.46) EGLN1MAPT
SCHEMBL6170872 0.77 TDP1 (0.46) DYRK1ASRC
SCHEMBL6168228 0.76 KDM4E (0.46) MAPT
SCHEMBL6170477 0.75 HASPIN (0.42) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097138-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LAFON LABOR (FR) 2005-12-07 EP disclosed
EP-1097138-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LABORATOIRE L. LAFON (FR) 2001-05-09 EP disclosed
WO-2000003990-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed