SCHEMBL6032170

SCHEMBL6032170

COCCc1c(C(=O)c2ccccc2)ccc(OCOC)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 5/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
EGFR P00533 1/20 0.37
CLCN2 P51788 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 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
SCHEMBL27634759 0.85 MAPT (0.43) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL27634765 0.85 MAPT (0.43) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL15225636 0.84 ABCB1 (0.43) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL2859896 0.83 EGFR (0.39) MAPTMAPK1KDM4EHSD17B10LMNA
SCHEMBL30070813 0.74 ELANE (0.54) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL2065476 0.74 ELANE (0.54) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL2865657 0.74 EGFR (0.40) MAPTMAPK1KDM4EHSD17B10LMNA
SCHEMBL15225637 0.73 LMNA (0.48) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL2857509 0.73 EGFR (0.39) MAPTMAPK1KDM4EHSD17B10LMNA
SCHEMBL2867402 0.73 EGFR (0.39) MAPTMAPK1KDM4EHSD17B10LMNA

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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN disclosed
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 EP disclosed