SCHEMBL25784347

SCHEMBL25784347

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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
THRB P10828 2/20 0.42
CYP3A4 P08684 2/20 0.41
DGKA P23743 1/20 0.35
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
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
SCHEMBL25784344 0.95 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25784336 0.91 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3821048 0.91 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10033523 0.86 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11920457 0.85 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14565935 0.83 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25784297 0.83 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17131746 0.83 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2459290 0.82 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9143157 0.82 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A

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