SCHEMBL6879558

SCHEMBL6879558

CCOCOc1cc(OCOCC)cc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 4/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL18500639 0.97 KDM4E (0.49) MAPTKDM4ECA1CA2CA12
SCHEMBL6881489 0.87 KDM4E (0.41) MAPTKDM4ECA1CA2CA12
SCHEMBL11171580 0.85 KDM4E (0.50) MAPTKDM4ECA1CA2CA12
SCHEMBL14341650 0.84 MAPT (0.68) MAPTCA1CA2CA12CA7
SCHEMBL644054 0.84 CA1 (0.48) MAPTKDM4ECA1CA2CA12
SCHEMBL6881492 0.82 MAPT (0.36) MAPTKDM4ECA1CA2CA12
SCHEMBL6154971 0.82 PLA2G2A (0.57) POLBNFKB1NFKB2RELATDP1
SCHEMBL3176817 0.82 KDM4E (0.54) MAPTKDM4ECA1CA2CA12
SCHEMBL1989863 0.81 MAPT (0.54) MAPTKDM4ECA1CA2CA12
SCHEMBL6243324 0.80 CA1 (0.48) MAPTKDM4ECA1CA2CA12

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-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed