SCHEMBL6199258

SCHEMBL6199258

COc1cccc(O)c1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MAPK1 P28482 3/20 0.53
TP53 P04637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 1/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10808312 0.89 MAPK1 (0.62) MAPTMAPK1TP53KDM4EHSD17B10
SCHEMBL3755885 0.88 MAPK1 (0.56) MAPTMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL2875254 0.85 MAPK1 (0.62) MAPTMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL7093557 0.84 KDM4E (0.52) MAPTMAPK1TP53KDM4EHSD17B10
SCHEMBL15495905 0.83 MAPT (0.47) MAPTMAPK1TP53KDM4EHSD17B10
SCHEMBL10394801 0.82 MAPK1 (0.47) MAPTMAPK1TP53KDM4EHSD17B10
SCHEMBL3327023 0.81 MAPK1 (0.58) MAPTMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL5199939 0.81 ALDH1A1 (0.48) MAPTMAPK1TP53KDM4EHSD17B10
SCHEMBL15495840 0.81 MAPK1 (0.50) MAPTMAPK1TP53KDM4EHSD17B10
SCHEMBL21708685 0.80 KMT2A (0.56) MAPTMAPK1KDM4EHSD17B10ALDH1A1

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-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed