SCHEMBL22166148

SCHEMBL22166148

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
PKM P14618 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP4 P27487 1/20 0.30
SCN9A Q15858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL22166143 0.91 THRB (0.33) THRBPKMSCN9AALDH1A1POLB
SCHEMBL10188085 0.87 PKM (0.34) THRBPKMDPP8DPP9DPP4
SCHEMBL24400283 0.86 MDH1 (0.31) THRBPKMSCN9A
SCHEMBL22503142 0.86 THRB (0.39) THRBPKMDPP4ALDH1A1POLB
SCHEMBL22317700 0.84 THRB (0.40) THRBPKMDPP8DPP9DPP4
SCHEMBL21599233 0.83 PKM (0.35) THRBPKMALDH1A1POLB
SCHEMBL20938603 0.82 THRB (0.32) THRBPOLB
SCHEMBL20364781 0.82 THRB (0.33) THRBPKMALDH1A1POLB
SCHEMBL22503138 0.81 THRB (0.32) THRB
SCHEMBL22503246 0.75 HSD11B1 (0.42) THRBPKMALDH1A1

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-10695554-B2 Bio-electrode composition, bio-electrode, method for manufacturing the bio-electrode, and polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-06-30 US disclosed