SCHEMBL6354946

SCHEMBL6354946

CC(C)(C)OOCC(=O)OO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL544189 0.77 ALDH1A1 (0.34) TSHRTDP1ALDH1A1
SCHEMBL25363567 0.77 GAA (0.46) TSHRALDH1A1
SCHEMBL28593358 0.75 TDP1 (0.35) TSHRTDP1ALDH1A1
SCHEMBL543679 0.75 TSHR (0.38) TSHRTDP1ALDH1A1
SCHEMBL11686856 0.74 TDP1 (0.32) TSHRTDP1
Acetic Acid SCHEMBL28470472 0.73 GAA (0.41) TSHRALDH1A1
SCHEMBL9066247 0.71 TSHR (0.32) TSHRTDP1ALDH1A1
SCHEMBL8612928 0.71 DGKA (0.37) TSHRALDH1A1
SCHEMBL23829517 0.71
SCHEMBL3881485 0.70 TSHR (0.35) TSHRTDP1ALDH1A1

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-20050214488-A1 Faintly aromatic cushioning body EBISUKASEI CO., LTD. (JP) 2005-09-29 US disclosed