SCHEMBL6276294

SCHEMBL6276294

COC(C)(OC)OC(=O)CC(=O)OC(C)(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
GAA P10253 3/20 0.36
MGAM O43451 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
DGAT1 O75907 1/20 0.36
TET2 Q6N021 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6276296 0.88 TSHR (0.37) TSHRGAAMGAMSIMGAM2
SCHEMBL11720051 0.84 TSHR (0.46) TSHRGAAMGAMSIMGAM2
SCHEMBL3164866 0.82 TSHR (0.32) TSHRGAADGAT1
SCHEMBL783556 0.82 ALDH1A1 (0.35) TSHRGAADGAT1ALDH1A1
SCHEMBL7089134 0.81 ALDH1A1 (0.32) TSHRTET2ALDH1A1
SCHEMBL610468 0.80 TSHR (0.44) TSHRGAARECQLALDH1A1
SCHEMBL10918514 0.80 TSHR (0.50) TSHRRECQLALDH1A1MEN1KMT2A
SCHEMBL10922395 0.78 TSHR (0.42) TSHRGAARECQLALDH1A1KMT2A
SCHEMBL783992 0.78 ALDH1A1 (0.48) TSHRRECQLALDH1A1
SCHEMBL11720062 0.77 EGLN1 (0.43) TSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050123781-A1 One-component flexible etch resistant clearcoat NIPPON PAINT (USA), INC. 2005-06-09 US disclosed
EP-1538172-A1 One-component flexible etch resistant clearcoat ROHM AND HAAS COMPANY (US) 2005-06-08 EP disclosed