SCHEMBL20008871

SCHEMBL20008871

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CA12 O43570 6/20 0.36
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA9 Q16790 6/20 0.36
CA14 Q9ULX7 6/20 0.36
GRIA4 P48058 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA7 P43166 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL20008838 0.88 NPC1 (0.37) CA12CA1CA2CA9CA14
SCHEMBL20008872 0.85 P4HTM (0.32) KMT2ANPC1USP2MAPTTSHR
SCHEMBL18775698 0.85 PDCD1 (0.50) PDCD1CD274GRIA4KMT2AMEN1
SCHEMBL20008836 0.84 CA1 (0.36) PDCD1CD274CA12CA1CA2
SCHEMBL19961425 0.82 KMT2A (0.36) PDCD1CD274CA12CA1CA2
SCHEMBL18775776 0.82 MEN1 (0.42) CA1CA2GRIA4KMT2AMEN1
SCHEMBL18775773 0.82 TDP1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL18775680 0.81 POLB (0.42) CA12CA1CA2CA9CA14
SCHEMBL18775869 0.80 KMT2A (0.40) CA1CA2KMT2AMEN1NPC1
SCHEMBL18775747 0.80 CA12 (0.46) 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