SCHEMBL20008847

SCHEMBL20008847

CC(F)(F)C(OC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)cc2)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ELANE P08246 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
HSD11B1 P28845 3/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 2/20 0.33
FBP1 P09467 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL17195514 0.93 CA1 (0.37) ELANECA12CA1CA2CA9
SCHEMBL20008852 0.89 CA12 (0.34) ELANECA12CA1CA2CA9
SCHEMBL18785977 0.88 MAPT (0.41) POLBHSD11B1MAPTALDH1A1LMNA
SCHEMBL20008855 0.87 HPGD (0.36) ELANECA12CA1CA2CA9
SCHEMBL383521 0.82 TRPV1 (0.41) CA1CA2MAPTALDH1A1LMNA
SCHEMBL18785982 0.82 TDP1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL1671972 0.81 TRPV1 (0.40) CA1CA2MAPTALDH1A1LMNA
SCHEMBL18785976 0.80 MAPT (0.37) CA12CA1CA2CA9CA14
SCHEMBL18785726 0.80 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL6449938 0.80 TSHR (0.42) CA12CA1CA2CA9CA14

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-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed