SCHEMBL28028508

SCHEMBL28028508

C=CC(=O)OCC(C)OC(C)(O)CC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.58
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28027922 0.86 TSHR (0.61) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL27901357 0.83 TSHR (0.66) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL26109742 0.77 TSHR (0.58) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL29178054 0.77 TSHR (0.39) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL17890135 0.75 TSHR (0.76) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL23493932 0.75 TSHR (0.58) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL28192845 0.74 TSHR (1.00) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL16448 0.74
SCHEMBL12570992 0.74 TSHR (0.58) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL2533376 0.74 TSHR (0.68) TSHRTHRBHPGDALDH1A1TP53

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-102753476-B Carbon nanotube sheet material and manufacture method thereof NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-08-26 CN disclosed