SCHEMBL12501262

SCHEMBL12501262

CCOCC(=O)OC(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL5607205 0.82 ALDH1A1 (0.33) ALDH1A1TSHRMGAMGAASI
SCHEMBL21106744 0.80 APLNR (0.30)
SCHEMBL15160845 0.80 ALDH1A1 (0.40) ALDH1A1TSHRTDP1
SCHEMBL26412891 0.79 ALDH1A1 (0.35) ALDH1A1TSHRGAA
SCHEMBL12967160 0.79 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL23664656 0.79 MEN1 (0.39) ALDH1A1TSHR
SCHEMBL18517724 0.79 TDP1 (0.39) TSHRTDP1
SCHEMBL20057022 0.79 EPHX2 (0.31)
SCHEMBL29334924 0.77 CYP4F2 (0.47) TSHRTDP1GAA
SCHEMBL12332048 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTDP1MGAMGAA

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-20110165512-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2011-07-07 US disclosed