SCHEMBL20008836

SCHEMBL20008836

CC(OC(=O)c1ccc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)cc1)C(C)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA7 P43166 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
MLYCD O95822 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
GRIA4 P48058 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL20008938 0.86 HDAC4 (0.36) ALDH1A1
SCHEMBL20008919 0.86 MMP1 (0.33)
SCHEMBL20008867 0.86 HDAC3 (0.36)
SCHEMBL18891092 0.86 KMT2A (0.36) CA1CA2CA12CA9CA14
SCHEMBL18775874 0.85 UTS2R (0.38) CA1CA2CA12CA9CA14
SCHEMBL18775776 0.85 MEN1 (0.42) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL18775773 0.85 TDP1 (0.41) CA1CA2CA12CA9CA14
SCHEMBL20008868 0.84 GABRA1 (0.33) ADRB2ADRB1ADRB3NPC1
SCHEMBL20008839 0.84 GABRA1 (0.35) ALDH1A1
SCHEMBL18775680 0.84 POLB (0.42) CA1CA2CA12CA9CA14

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