SCHEMBL20056463

SCHEMBL20056463

COC(=O)/C=C1/OC(COCc2ccccc2)CC(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
KLK7 P49862 2/20 0.38
KLK5 Q9Y337 2/20 0.38
ACHE P22303 4/20 0.38
PDE4D Q08499 1/20 0.38
BCHE P06276 3/20 0.37
PTPN1 P18031 2/20 0.37
CDC25B P30305 1/20 0.37
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20056311 0.82 ALDH1A1 (0.39) LMNAKLK7KLK5ACHEPDE4D
SCHEMBL20056422 0.82 PDE4D (0.42) LMNAACHEPDE4DBCHEPTPN1
SCHEMBL19861571 0.78 BCHE (0.45) ACHEBCHEPTPN1CDC25B
SCHEMBL21697602 0.78 LMNA (0.51) LMNAACHEPDE4DBCHEPTPN1
SCHEMBL16010060 0.78 LMNA (0.51) LMNAACHEPDE4DBCHEPTPN1
SCHEMBL21218201 0.71 LMNA (0.51) LMNAACHEPDE4DBCHEPTPN1
SCHEMBL16076886 0.70 NAAA (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1968853 0.69 BUB1 (0.45) LMNAACHEALDH1A1
SCHEMBL23047646 0.69 PDE4D (0.52) LMNAACHEPDE4DBCHE
SCHEMBL29711913 0.69 PDE4D (0.52) LMNAACHEPDE4DBCHE

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-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed