SCHEMBL6691841

SCHEMBL6691841

CCc1ccc(C(O)c2cnc(OC)nc2OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
CRHR1 P34998 1/20 0.38
ALDH1A1 P00352 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHEK2 O96017 1/20 0.33
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.32
CES1 P23141 1/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL6688782 0.87 ALDH1A1 (0.34) ACACBALDH1A1IDO1TDO2L3MBTL1
SCHEMBL5386272 0.79 RORC (0.36) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL2759587 0.75 QPCT (0.52) ACACBCRHR1ALDH1A1ATMQPCT
SCHEMBL4849639 0.72 PRKDC (0.40) IDO1TDO2L3MBTL1TSHRMAPK1
SCHEMBL6686848 0.72 ALDH1A1 (0.43) ACACBALDH1A1L3MBTL1TDP1MEN1
SCHEMBL1682164 0.71 TDP1 (0.44) IDO1TDO2L3MBTL1TDP1CHEK2
SCHEMBL5991969 0.70 ALDH1A1 (0.38) ALDH1A1IDO1TDO2FAAHCYP2D6
SCHEMBL19355446 0.70 CRHR1 (0.43) ACACBCRHR1TSHRQPCTQPCTL
SCHEMBL4851481 0.69 KCNH2 (0.40) ALDH1A1IDO1TDO2L3MBTL1TSHR
SCHEMBL4592146 0.69 CXCR4 (0.46) CRHR1ALDH1A1L3MBTL1MAPK1MEN1

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-2004099230-A1 MONOSACCHARIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 WO disclosed