SCHEMBL7693653

SCHEMBL7693653

CC(=O)c1ccc2c(c1)C(O)=C(O)C(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
S100A4 P26447 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B1 P14061 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 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
SCHEMBL7693373 0.85 KDM4E (0.38) KDM4ES100A4MAPTNPC1RAB9A
SCHEMBL7690786 0.81 ALDH1A1 (0.37) KDM4ES100A4MAPTNPC1RAB9A
Sulfuric Acid SCHEMBL7687036 0.80 S100A4 (0.36) KDM4ES100A4MAPTNPC1RAB9A
Sulfuric Acid SCHEMBL7687037 0.77 S100A4 (0.34) KDM4ES100A4MAPTNPC1RAB9A
SCHEMBL6651190 0.77 KDM4E (0.39) KDM4ES100A4MAPTNPC1RAB9A
SCHEMBL15059366 0.73 S100A4 (0.46) KDM4ES100A4MAPTNPC1RAB9A
SCHEMBL31085219 0.71 S100A4 (0.44) KDM4ES100A4MAPTNPC1RAB9A
SCHEMBL13481991 0.71 MAPT (0.66) KDM4EMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL8724618 0.71 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL12389959 0.71 CNR2 (0.45) KDM4EMAPTNPC1RAB9AALDH1A1

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
WO-2002042285-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-BENZOYLAMINO CHROMAN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-30 WO disclosed