SCHEMBL29009246

SCHEMBL29009246

COc1cc(C=CC(=O)OCCCCc2ccccc2)ccc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.85
MET P08581 8/20 0.78
ALOX5 P09917 4/20 0.74
CA12 O43570 3/20 0.73
CA4 P22748 3/20 0.73
CA6 P23280 3/20 0.73
CA5A P35218 3/20 0.73
CA7 P43166 3/20 0.73
CA9 Q16790 3/20 0.73
CA14 Q9ULX7 3/20 0.73
CA5B Q9Y2D0 3/20 0.73
HTR7 P34969 1/20 0.71
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
ALOX12 P18054 2/20 0.64
MAPK1 P28482 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
AKR1B10 O60218 1/20 0.64

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
SCHEMBL20914956 0.97 TTR (0.87) TTRMETALOX5CA12CA4
SCHEMBL29009245 0.97 TTR (0.87) TTRMETALOX5CA12CA4
SCHEMBL2792633 0.92 TTR (1.00) TTRMETALOX5CA12CA4
SCHEMBL14259660 0.92 TTR (1.00) TTRMETALOX5CA12CA4
SCHEMBL28043852 0.89 MET (0.81) TTRMETALOX5CA12CA4
SCHEMBL28269612 0.88 MET (0.80) TTRMETCA12CA4CA6
SCHEMBL30555898 0.88 MET (0.80) TTRMETCA12CA4CA6
SCHEMBL28269611 0.88 MET (0.80) TTRMETCA12CA4CA6
SCHEMBL20914973 0.88 TTR (0.87) TTRMETALOX5CA12CA4
SCHEMBL15384083 0.87 TTR (0.86) TTRMETALOX5CA12CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116179509-A Method for synthesizing phenyl acrylate by feruloyl esterase catalysis 广西大学 2023-05-30 CN claimed
CN-116179509-A Method for synthesizing phenyl acrylate by feruloyl esterase catalysis 广西大学 2023-05-30 CN disclosed