SCHEMBL20008875

SCHEMBL20008875

CC(OC(=O)C1CCC(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)c2ccccc21)C(C)(F)F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 1/20 0.30
ABHD6 Q9BV23 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
SCHEMBL20008858 0.81 KMT2A (0.30)
SCHEMBL17717491 0.81 PIN1 (0.40) ABHD6
SCHEMBL17717474 0.79 PRMT5 (0.37) ALDH1A1
SCHEMBL20008870 0.77
SCHEMBL20008873 0.76
SCHEMBL20008857 0.76
SCHEMBL20008839 0.74 GABRA1 (0.35) ALDH1A1
SCHEMBL20008836 0.74 CA1 (0.36) ALDH1A1
SCHEMBL17717492 0.74 HDAC3 (0.36) ALDH1A1ABHD6
SCHEMBL18775750 0.74 HDAC4 (0.40) ALDH1A1ABHD6

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