SCHEMBL22010759

SCHEMBL22010759

CNc1ncc(/C=C/C(=O)N(C)Cc2c(C)oc3c(Oc4cccc(OC)c4)cccc23)cc1CCCC=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
SLC1A5 Q15758 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL22010509 0.88 MTNR1B (0.33) KDM4EALDH1A1GAAHPGDEGFR
SCHEMBL22011518 0.87 KDM4E (0.32) KDM4EALDH1A1GAAHPGDLTB4R
SCHEMBL22010528 0.87
SCHEMBL22010515 0.85
SCHEMBL22011517 0.83
SCHEMBL22010757 0.77 SNCA (0.32)
SCHEMBL24722717 0.75
SCHEMBL21963732 0.75 SLC1A5 (0.41) KDM4EALDH1A1GAAHPGDSLC1A5
SCHEMBL22010758 0.75
SCHEMBL22010915 0.75

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
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed