SCHEMBL6879080

SCHEMBL6879080

CC(=O)OCC(COc1ccccc1)OC(=O)c1ccc(C(=O)OC(COC(C)=O)COc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
CYP19A1 P11511 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AR P10275 1/20 0.50
MAPT P10636 4/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
PTPN1 P18031 1/20 0.46
POLB P06746 2/20 0.45
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDCD1 Q15116 1/20 0.42

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
SCHEMBL6360882 0.88 AR (0.61) ALDH1A1ARMAPTLMNAKMT2A
SCHEMBL6881909 0.87 ALDH1A1 (0.56) ALDH1A1GAACYP19A1MAPK1L3MBTL1
SCHEMBL6880910 0.85 MAPT (0.56) ALDH1A1GAACYP19A1MAPK1L3MBTL1
SCHEMBL27635306 0.83 AR (0.57) ALDH1A1GAAMAPK1L3MBTL1AR
SCHEMBL3364884 0.81 POLB (0.60) L3MBTL1ARMAPTLMNAKMT2A
SCHEMBL11957637 0.81 LMNA (0.50) ALDH1A1GAACYP19A1MAPK1L3MBTL1
SCHEMBL6936775 0.81 TSHR (0.52) ALDH1A1GAACYP19A1MAPK1L3MBTL1
SCHEMBL17557410 0.81 PRKCA (0.49) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL15385987 0.80 KMT2A (0.55) ALDH1A1GAACYP19A1MAPK1L3MBTL1
SCHEMBL13809629 0.79 ELANE (0.58) ALDH1A1GAAMAPTRAB9AMEN1

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
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed