SCHEMBL3401178

SCHEMBL3401178

COc1ccc(-c2cncc(O[C@H]3SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
PIK3CG P48736 4/20 0.35
ALPL P05186 2/20 0.35
PIK3CA P42336 5/20 0.35
PIK3CD O00329 4/20 0.35
PIK3CB P42338 3/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL314909 1.00 MKNK1 (0.36) MKNK1MKNK2CYP11B1CYP11B2PIK3CG
SCHEMBL2409610 0.89 HSD17B1 (0.42) MKNK1MKNK2PIK3CGPIK3CAPIK3CD
SCHEMBL2409613 0.89 HSD17B1 (0.42) MKNK1MKNK2PIK3CGPIK3CAPIK3CD
SCHEMBL2142952 0.88 MAP4K4 (0.42) MKNK1MKNK2CYP11B1CYP11B2PIK3CG
SCHEMBL3399894 0.88 MKNK1 (0.40) MKNK1MKNK2CYP11B1CYP11B2PIK3CG
SCHEMBL316434 0.88 MKNK1 (0.40) MKNK1MKNK2CYP11B1CYP11B2PIK3CG
SCHEMBL314556 0.88 CYP11B2 (0.32) MKNK1MKNK2CYP11B1CYP11B2PIK3CG
SCHEMBL3397066 0.88 CYP11B2 (0.32) MKNK1MKNK2CYP11B1CYP11B2PIK3CG
SCHEMBL316078 0.88 CYP11B2 (0.32) MKNK1MKNK2CYP11B1CYP11B2PIK3CG
SCHEMBL3399023 0.88 CYP11B2 (0.32) MKNK1MKNK2CYP11B1CYP11B2PIK3CG

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