SCHEMBL28454885

SCHEMBL28454885

C=CC(=O)OCC1OC1CC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.34

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
SCHEMBL31288445 0.83 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13169044 0.82 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL28841262 0.81 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2295390 0.81 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20877600 0.81 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28199518 0.80 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28563590 0.80 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30047457 0.77 ALDH1A1 (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28218100 0.76 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4424835 0.76 TSHR (0.40) 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-109100918-B Photosensitive resin composition and preparation method and application thereof 深圳市华星光电技术有限公司 2020-08-04 CN disclosed