SCHEMBL16359341

SCHEMBL16359341

C=CC(=O)OC(C)(CC)CCOC(C)(C)CC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
TSHR P16473 6/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL15134598 0.89 THRB (0.38) THRBTSHRHPGDALDH1A1TP53
SCHEMBL10066325 0.87 THRB (0.39) THRBTSHRHPGDALDH1A1TP53
SCHEMBL15615821 0.86 THRB (0.46) THRBTSHRHPGDALDH1A1TP53
SCHEMBL18566802 0.86 THRB (0.46) THRBTSHRHPGDALDH1A1TP53
SCHEMBL16366163 0.84 THRB (0.36) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14137681 0.82 THRB (0.38) THRBTSHRHPGDALDH1A1TP53
SCHEMBL18566724 0.82 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL3248687 0.81 TSHR (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL11996611 0.81 THRB (0.37) THRBTSHRHPGDALDH1A1TP53
SCHEMBL17052352 0.81 THRB (0.37) THRBTSHRHPGDALDH1A1TP53

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
WO-2008120811-A1 ORGANIC - INORGANIC HYBRID COMPOSITION FUJIFILM CORPORATION (JP) 2008-10-09 WO disclosed