SCHEMBL25784302

SCHEMBL25784302

C=CC(=O)OCCC(=O)OCCOC(=O)C(C)(C)CC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
TSHR P16473 8/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 2/20 0.41
DGKA P23743 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA2A P08913 1/20 0.30
ADRA1A P35348 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
SCHEMBL25784313 1.00 THRB (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL749916 0.91 THRB (0.57) THRBTSHRHPGDALDH1A1TP53
SCHEMBL12716859 0.86 TSHR (0.63) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14617086 0.86 TSHR (0.63) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14271654 0.84 TSHR (0.59) THRBTSHRHPGDALDH1A1TP53
SCHEMBL12793066 0.84 TSHR (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL1104094 0.84 THRB (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL25766972 0.83 TSHR (0.63) THRBTSHRHPGDALDH1A1TP53
SCHEMBL13557205 0.82 DGKA (0.45) TSHRALDH1A1HSD17B10DGKAADRA2A
SCHEMBL2459290 0.82 TSHR (0.64) 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
US-20230217718-A1 METHOD FOR PRODUCING LIGHT-EMITTING ELEMENTS CENTRAL GLASS COMPANY, LIMITED (JP) 2023-07-06 US disclosed