SCHEMBL3395494

SCHEMBL3395494

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3cncc(F)c3)nc2)SC[C@H]1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.33
AKR1C3 P42330 1/20 0.32
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
PIK3CG P48736 1/20 0.30
F2R P25116 1/20 0.30

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
SCHEMBL315697 1.00 ABL1 (0.33) ABL1AKR1C3CYP11B2CYP11B1PIK3CG
SCHEMBL3399341 0.90 CHRNA7 (0.33)
SCHEMBL314889 0.90 CHRNA7 (0.33)
SCHEMBL315022 0.89 DYRK1A (0.31)
SCHEMBL3399106 0.89 DYRK1A (0.31)
SCHEMBL316055 0.89 FYN (0.36) CYP11B2CYP11B1PIK3CG
SCHEMBL3393927 0.89 FYN (0.36) CYP11B2CYP11B1PIK3CG
SCHEMBL3395501 0.89 PTGES (0.31)
SCHEMBL314799 0.89 PTGES (0.31)
SCHEMBL314638 0.88 CHRNA7 (0.32)

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-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed