SCHEMBL20008938

SCHEMBL20008938

CC(OC(=O)c1ccc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)o1)C(C)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRSS1 P07477 2/20 0.31
TMPRSS15 P98073 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
MBTD1 Q05BQ5 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20008836 0.86 CA1 (0.36) ALDH1A1
SCHEMBL20008867 0.83 HDAC3 (0.36) HDAC4HDAC6PRSS1TMPRSS15L3MBTL1
SCHEMBL20008919 0.83 MMP1 (0.33)
SCHEMBL20008839 0.81 GABRA1 (0.35) ALDH1A1
SCHEMBL20008868 0.81 GABRA1 (0.33)
SCHEMBL20008920 0.76
SCHEMBL18775680 0.76 POLB (0.42) POLBCYP2C19TDP1ALDH1A1
SCHEMBL18775782 0.75 CYP4F2 (0.40) CYP2C9ALDH1A1
SCHEMBL18844165 0.75 THRA (0.40) POLB
SCHEMBL20008935 0.75

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