SCHEMBL9555237

SCHEMBL9555237

[CH2]COC(C)OC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.45
HPGD P15428 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 2/20 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
SCHEMBL25475957 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3902375 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL147629 0.83 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2727797 0.82 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL631070 0.82 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1886950 0.82 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17213620 0.82 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL238288 0.80 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29548017 0.80 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Fluoromethane SCHEMBL27653465 0.80 TSHR (0.42) 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-5235096-A Hydroxybenzenesulfone compound having a polymerizable group and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-08-10 US disclosed