SCHEMBL28869239

SCHEMBL28869239

C=CC(=O)OC(O)CC.C=CO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.41
HPGD P15428 1/20 0.39
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
THRB P10828 3/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL26116 0.96
SCHEMBL11193107 0.96
Formic Acid SCHEMBL27845140 0.94 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
Hydrogen Peroxide SCHEMBL28304847 0.94 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL28302964 0.94 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28524913 0.94 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Alcohol SCHEMBL1914433 0.92 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL27674341 0.92 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Trimethylammonium SCHEMBL7058009 0.90 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL11758386 0.90 LMNA (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-109233070-A A kind of polyvinyl foam dressing and preparation method thereof 郑伟 2019-01-18 CN disclosed