SCHEMBL20008852

SCHEMBL20008852

CC(F)(F)C(OC(=O)c1ccc(C(=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 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA7 P43166 1/20 0.34
ELANE P08246 5/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRB3 P13945 1/20 0.32

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 0.96 CA1 (0.37) CA12CA1CA2CA9CA14
SCHEMBL20008855 0.89 HPGD (0.36) CA12CA1CA2CA9CA14
SCHEMBL20008847 0.89 POLB (0.38) CA12CA1CA2CA9CA14
SCHEMBL18785766 0.87 TP53 (0.42) CA12CA1CA2CA9CA14
SCHEMBL383521 0.84 TRPV1 (0.41) CA1CA2KMT2AMEN1LMNA
SCHEMBL18785982 0.84 TDP1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL1671972 0.83 TRPV1 (0.40) CA1CA2KMT2AMEN1LMNA
SCHEMBL18785976 0.82 MAPT (0.37) CA12CA1CA2CA9CA14
SCHEMBL18785726 0.82 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL6449938 0.82 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