SCHEMBL13067533

SCHEMBL13067533

COc1ccc(C(CF)(CF)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
ACHE P22303 1/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
RECQL P46063 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AOC3 Q16853 1/20 0.42
IDO1 P14902 1/20 0.41
KIF11 P52732 2/20 0.41

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
SCHEMBL13537066 0.80 MAPK1 (0.49) CA1CA2CA7CA9CA12
SCHEMBL25955803 0.79 ESR1 (0.54) CA1CA2CA7CA9CA12
SCHEMBL18826483 0.77 CA12 (0.44) CA1CA2CA7CA9CA12
SCHEMBL325272 0.77 TEAD4 (0.47) MAPTACHEMAPK1TDP1ALDH1A1
SCHEMBL7766780 0.77 AOC3 (0.59) CA1CA2CA7CA9CA12
SCHEMBL11986391 0.74 LMNA (0.52) GAAMAPTALDH1A1LMNAHSD17B10
1,4-Dimethoxybenzene SCHEMBL29937047 0.74 CA1 (0.92) CA1CA2CA7CA9CA12
SCHEMBL255255 0.73 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL29456155 0.73 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL12318016 0.73 TSHR (0.48) CA1CA2CA7CA9MAPT

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-20100284664-A1 Production method of polyimide solution and fluorinated polyimide solution NIPPON SHOKUBAI CO., LTD. (JP) 2010-11-11 US disclosed