SCHEMBL22503190

SCHEMBL22503190

C=C(C)C(=O)OC12CC3CC(CC(CCC(=O)NS(=O)(=O)C(F)(F)F)(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.32

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
SCHEMBL22503137 0.93 EPHX2 (0.32) SCN9A
SCHEMBL22503136 0.90 ALDH1A1 (0.37) SCN9A
SCHEMBL20364781 0.80 THRB (0.33)
SCHEMBL19480437 0.80 SCN9A (0.33) SCN9A
SCHEMBL775943 0.78 DPP4 (0.34)
SCHEMBL2742246 0.78 SCN9A (0.34) SCN9A
SCHEMBL24400983 0.75 ALDH1A1 (0.37)
SCHEMBL22503146 0.75
SCHEMBL10204371 0.74 GAA (0.34)
SCHEMBL2610797 0.74 DPP4 (0.33)

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-10792489-B2 Bio-electrode composition, bio-electrode, and method for manufacturing the bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-10-06 US disclosed