SCHEMBL3400937

SCHEMBL3400937

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3cncc(F)c3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.34
CYP11B1 P15538 1/20 0.34
ABL1 P00519 2/20 0.33
PIK3CG P48736 1/20 0.33
AKR1C3 P42330 1/20 0.33
ABHD6 Q9BV23 3/20 0.32
DYRK1A Q13627 2/20 0.31
CLK2 P49760 1/20 0.30
CLK3 P49761 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
SCHEMBL315159 1.00 CYP11B2 (0.34) CYP11B2CYP11B1ABL1PIK3CGAKR1C3
SCHEMBL1974790 0.93 ABHD6 (0.36) ABHD6
SCHEMBL1974786 0.93 ABHD6 (0.36) ABHD6
SCHEMBL2413532 0.91 F2R (0.35) CYP11B2CYP11B1ABL1PIK3CGAKR1C3
SCHEMBL2413534 0.91 F2R (0.35) CYP11B2CYP11B1ABL1PIK3CGAKR1C3
SCHEMBL316063 0.90 CHRNB1 (0.34) CYP11B2CYP11B1ABL1
SCHEMBL316064 0.90 CHRNB1 (0.34) CYP11B2CYP11B1ABL1
SCHEMBL316434 0.89 MKNK1 (0.40) CYP11B2CYP11B1PIK3CGDYRK1A
SCHEMBL3399894 0.89 MKNK1 (0.40) CYP11B2CYP11B1PIK3CGDYRK1A
SCHEMBL2140007 0.89

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