SCHEMBL256719

SCHEMBL256719

Bc1ccc(C(=O)O)c(COC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKCE Q02156 1/20 0.39
KDM5A P29375 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
DCLRE1A Q6PJP8 1/20 0.36
DCLRE1B Q9H816 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 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
SCHEMBL257679 0.83 HCAR2 (0.39) ALDH1A1KDM4EHCAR2TSHRDCLRE1A
SCHEMBL257240 0.83 KDM4E (0.40) POLBALDH1A1KDM4ECA12CA1
SCHEMBL28524315 0.82 CA12 (0.52) TDP1POLBL3MBTL1PRKCEALDH1A1
SCHEMBL7627461 0.79 ALDH1A1 (0.57) TDP1POLBL3MBTL1PRKCEKDM5A
SCHEMBL5127002 0.79 KDM4E (0.44) TDP1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL256737 0.78 DCLRE1B (0.40) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL24801286 0.77 APEX1 (0.44) TDP1ALDH1A1KDM4ECA12CA1
SCHEMBL14900060 0.76 TDP1 (0.46) TDP1POLBL3MBTL1PRKCEKDM5A
SCHEMBL14900113 0.76 POLB (0.51) TDP1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL11358475 0.74 KDM4E (0.53) TDP1POLBL3MBTL1ALDH1A1KDM4E

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-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed