SCHEMBL6354943

SCHEMBL6354943

CC(C)(C)OOC(=O)CO[O]

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3221380 0.81 TSHR (0.36) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL9011776 0.77 TSHR (0.34) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL11126370 0.77 TSHR (0.41) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL9268162 0.76 CYP2D6 (0.34) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL8529866 0.75 TDP1 (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL3497531 0.75 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL30876515 0.75 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL1326440 0.73 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL11413523 0.73 TSHR (0.46) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL27344240 0.73 TSHR (0.38) TSHRTDP1ALDH1A1HSD17B10

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