SCHEMBL28073287

SCHEMBL28073287

C=CC(=O)OC(C)COC#N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1599728 0.79 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4906996 0.78 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.77 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL57563 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.77 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14996271 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8613642 0.76 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7994441 0.76 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL8565034 0.76 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2456569 0.76 TSHR (0.48) 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
CN-103360997-B Adherence composition, sticker and adhesive sheet 琳得科株式会社 2016-08-17 CN disclosed