SCHEMBL2861629

SCHEMBL2861629

CCc1c(OCOC)cc(OCOC)c(-c2cc(CO)ccc2[N+](=O)[O-])c1CCOC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
TTR P02766 1/20 0.36
ALDH1A1 P00352 8/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 6/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CHEK1 O14757 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALPG P10696 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2865272 0.83 DHFR (0.33) MAPTHTT
SCHEMBL2862935 0.76 FYN (0.40)
SCHEMBL2857280 0.75 EGFR (0.33)
SCHEMBL2855790 0.69 MAPT (0.43) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL4379642 0.69 EGFR (0.37) MAPTKDM4E
SCHEMBL2868679 0.68 MAPT (0.40) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL4384782 0.67
SCHEMBL4387756 0.66 ALDH1A1 (0.34) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL3579808 0.65 MAPT (0.50) TTRALDH1A1MEN1LMNAKMT2A
SCHEMBL2869133 0.65 FYN (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 EP disclosed