SCHEMBL27570680

SCHEMBL27570680

CCC(C(C)=O)(C(C)=O)C(=O)OOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
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
SCHEMBL27570679 0.78 DGAT1 (0.41) GAA
SCHEMBL14196625 0.76 TSHR (0.36) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL9045321 0.76 TSHR (0.36) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6910126 0.71 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1GAA
SCHEMBL28053514 0.71 TSHR (0.33) TSHR
SCHEMBL27589592 0.71
SCHEMBL27570686 0.71 ALDH1A1 (0.41) ALDH1A1TSHRTDP1
SCHEMBL3059758 0.69 HSD17B10 (0.33) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL15165 0.69 TSHR (0.41) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL21111336 0.68 CES2 (0.32) ALDH1A1HSD17B10TDP1

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
CN-1445315-A Ray sensitive compasition for preparing insulation film and display JSR CORP (JP) 2003-10-01 CN disclosed