SCHEMBL6827962

SCHEMBL6827962

O=c1cc(O)cc(C2CCOCC2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 3/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
DAO P14920 1/20 0.39
MAPT P10636 2/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 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
SCHEMBL1263377 0.89 TDP1 (0.53) TDP1CYP3A4MEN1GLAKMT2A
SCHEMBL6829613 0.85 TDP1 (0.50) TDP1CYP3A4MEN1GLAKMT2A
SCHEMBL17292459 0.85 TDP1 (0.50) TDP1CYP3A4MEN1GLAKMT2A
SCHEMBL6827998 0.84 TDP1 (0.49) TDP1CYP3A4MEN1GLAKMT2A
SCHEMBL6827603 0.84 TDP1 (0.49) TDP1CYP3A4MEN1GLAKMT2A
SCHEMBL6827176 0.79 DAO (0.39) DAOMAPTRECQLKDM5B
SCHEMBL6827433 0.77 TDP1 (0.43) TDP1CYP3A4MEN1GLAKMT2A
SCHEMBL6824261 0.73 PRKDC (0.41) CYP3A4DAOCYP2C9
SCHEMBL8806376 0.66 GPR84 (0.41) CYP3A4MEN1GLAKMT2ADAO
SCHEMBL6827261 0.66 MAPT (0.38) TDP1MAPTMAOAMAOB

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed