SCHEMBL9466873

SCHEMBL9466873

C=CC(=O)OC(C)OC(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 4/20 0.31
TP53 P04637 3/20 0.31
HIF1A Q16665 3/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.30
THRB P10828 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
SCHEMBL28802538 0.88 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2134306 0.87 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13126152 0.85 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18166515 0.85 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL213264 0.83 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2727797 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11693680 0.81 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5628270 0.81 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL530086 0.81 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10349872 0.81 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4

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-5242781-A Exposure and development of light sensitive silver halide emulsions with dye donor compounds by superimposing dye image receivers with polyvinyl chloride or polyester binders KONICA CORPORATION (JP) 1993-09-07 US disclosed