SCHEMBL20183950

SCHEMBL20183950

C=CC(=O)OC[CH]COC(=O)C=C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.54
ALDH1A1 P00352 8/20 0.54
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
CYP3A4 P08684 3/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.48
THRB P10828 4/20 0.39
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
LMNA P02545 1/20 0.33
FGFR4 P22455 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL28022196 0.87
SCHEMBL10766534 0.85
SCHEMBL5157984 0.84 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8997902 0.84 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19273 0.83
SCHEMBL29417881 0.83 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5167665 0.83 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31267242 0.83 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19846628 0.83 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19620226 0.83 TSHR (0.54) 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
EP-3327052-A1 RESIN AND SURFACE PROTECTION PLATE OR AUTOMOTIVE MATERIAL Sumitomo Chemical Company, Ltd. (JP) 2018-05-30 EP disclosed