SCHEMBL22330780

SCHEMBL22330780

O=C1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
HTR1A P08908 1/20 0.44
LMNA P02545 1/20 0.44
TACR2 P21452 3/20 0.43
NT5E P21589 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
PTPN1 P18031 5/20 0.39
CDC25B P30305 5/20 0.39
PTPN2 P17706 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPN11 Q06124 2/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL2174263 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL13112800 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL13956209 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL16027502 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL12407911 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL1087871 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL500473 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL18511226 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL22129916 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2
SCHEMBL13956220 1.00 BCHE (0.56) BCHEACHEHTR1ALMNATACR2

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
EP-1651658-B2 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-08-12 EP disclosed