SCHEMBL20008932

SCHEMBL20008932

CC(CS(=O)(=O)O)(OC(=O)C12CC3CC(C1)CC(C(=O)OC(C)(CS(=O)(=O)O)C(F)(F)F)(C3)C2)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
CYP17A1 P05093 2/20 0.35
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 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
SCHEMBL14616379 0.92 CYP17A1 (0.42) NPSR1CYP17A1CYP19A1ALDH1A1LMNA
SCHEMBL18470657 0.85 NPSR1 (0.30) NPSR1
SCHEMBL18561114 0.85 NPSR1 (0.30) NPSR1
SCHEMBL19846362 0.85 CYP17A1 (0.31) NPSR1CYP17A1CYP19A1
SCHEMBL16020254 0.83 CYP17A1 (0.35) CYP17A1CYP19A1
SCHEMBL16020245 0.82 CYP17A1 (0.37) NPSR1CYP17A1CYP19A1
SCHEMBL14884143 0.79 CYP17A1 (0.40) NPSR1CYP17A1CYP19A1ALDH1A1LMNA
SCHEMBL20013493 0.77 ALDH1A1 (0.43) NPSR1ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL16020251 0.76 ALDH1A1 (0.38) NPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11991287 0.75 CYP17A1 (0.38) NPSR1CYP17A1CYP19A1ALDH1A1MEN1

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