SCHEMBL29009458

SCHEMBL29009458

COC1=C(c2c(OC)cc3cc4c(c(O)c3c2O)C(=O)O[C@H](C)C4)C(=O)c2c(cc3c(c2O)C(=O)O[C@H](C)C3)C1=O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.73
KLK5 Q9Y337 2/20 0.73
MAOA P21397 12/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 4/20 0.36
MAP3K7 O43318 1/20 0.36
POLL Q9UGP5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL31371856 1.00 KLK7 (0.73) KLK7KLK5MAOAMEN1KMT2A
SCHEMBL846317 0.88 KLK7 (0.73) KLK7KLK5MAOAMEN1KMT2A
Vioxanthin SCHEMBL29800659 0.85 KLK7 (1.00) KLK7KLK5MAOAMEN1KMT2A
SCHEMBL31734822 0.80 KLK7 (0.63) KLK7KLK5MAOAMAOBMAP3K7
SCHEMBL16226574 0.77 KLK7 (0.58) KLK7KLK5MAOAMEN1KMT2A
SCHEMBL32678192 0.73 XDH (0.56) KLK7KLK5KDM4EPOLBMAPT
SCHEMBL32678200 0.73 XDH (0.56) KLK7KLK5KDM4EPOLBMAPT
SCHEMBL32678196 0.73 XDH (0.56) KLK7KLK5KDM4EPOLBMAPT
SCHEMBL2114985 0.72 KLK7 (0.70) KLK7KLK5MAOAMAOBMAP3K7
SCHEMBL2114989 0.72 KLK7 (0.70) KLK7KLK5MAOAMAOBMAP3K7

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-115975431-B Preparation method of composite antibacterial and antiseptic smoke ink emulsion and ink thereof 扬州市祥华新材料科技有限公司 2023-12-08 CN disclosed
CN-115975431-A Preparation method of composite antibacterial and antiseptic ink emulsion and ink thereof 扬州市祥华新材料科技有限公司 2023-04-18 CN disclosed