SCHEMBL29929662

SCHEMBL29929662

COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(CC(C)O)c(c(c1CC(C)O)c23)c54

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.68
TCF4 P15884 7/20 0.68
CDH1 P12830 2/20 0.68
APC P25054 2/20 0.68
TCF7L2 Q9NQB0 2/20 0.68
MAPT P10636 5/20 0.52
THRB P10828 2/20 0.52
SYK P43405 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 3/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL29711267 1.00 CTNNB1 (0.68) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL31134383 0.86 CTNNB1 (0.64) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711331 0.84 CTNNB1 (0.76) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29369377 0.81 CTNNB1 (1.00) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL13121634 0.81 CTNNB1 (0.49) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711243 0.78 CTNNB1 (0.81) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711326 0.78 CTNNB1 (0.78) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29401881 0.76 RECQL (0.52) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29402631 0.72 THRB (0.56) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29404988 0.71 MEN1 (0.65) CTNNB1TCF4CDH1APCTCF7L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
CN-118576706-A Perylenequinone supermolecule photosensitizer and preparation method and application thereof 中国科学院理化技术研究所 2024-09-03 CN disclosed
CN-117487673-A Method for producing dipre-cercosporin by fermentation 江南大学 2024-02-02 CN disclosed