SCHEMBL6025486

SCHEMBL6025486

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2cccc(F)c2)c1CC1OC(OCc2ccccc2)C(OCc2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
KDM1A O60341 2/20 0.34
MAPK14 Q16539 1/20 0.33
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
LRRK2 Q5S007 1/20 0.33
MPO P05164 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MET P08581 1/20 0.32
F2R P25116 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4380707 1.00 C5AR1 (0.37) C5AR1KDM1AMAPK14EGFRERBB2
SCHEMBL4392462 1.00 C5AR1 (0.37) C5AR1KDM1AMAPK14EGFRERBB2
SCHEMBL4381387 0.91 MAPK14 (0.35) MAPK14L3MBTL1TDP1MAPTMAPK1
SCHEMBL4384038 0.91 MAPK14 (0.35) MAPK14L3MBTL1TDP1MAPTMAPK1
SCHEMBL4385084 0.91 MAPK14 (0.35) MAPK14L3MBTL1TDP1MAPTMAPK1
SCHEMBL4380968 0.89 AR (0.36) KDM1AMAPK14HTR1ASLC6A2SLC6A4
SCHEMBL4386419 0.89 ESR1 (0.36) L3MBTL1TDP1MAPTMAPK1
SCHEMBL4382854 0.89 MAPT (0.34) MAPK14LRRK2L3MBTL1TDP1MAPT
SCHEMBL4386470 0.89 AR (0.36) KDM1AMAPK14HTR1ASLC6A2SLC6A4
SCHEMBL4386156 0.89 ESR1 (0.36) L3MBTL1TDP1MAPTMAPK1

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
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP disclosed