SCHEMBL3396980

SCHEMBL3396980

COc1ncc(-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 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
CYP11B1 P15538 2/20 0.31
FTO Q9C0B1 1/20 0.31
PIK3CG P48736 1/20 0.31
CYP1A2 P05177 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
SCHEMBL314004 1.00 CYP11B2 (0.33) CYP11B2MKNK1MKNK2CYP11B1FTO
SCHEMBL3399894 0.91 MKNK1 (0.40) CYP11B2MKNK1MKNK2CYP11B1PIK3CG
SCHEMBL316434 0.91 MKNK1 (0.40) CYP11B2MKNK1MKNK2CYP11B1PIK3CG
SCHEMBL316063 0.90 CHRNB1 (0.34) CYP11B2MKNK1MKNK2CYP11B1
SCHEMBL316064 0.90 CHRNB1 (0.34) CYP11B2MKNK1MKNK2CYP11B1
SCHEMBL3401178 0.87 MKNK1 (0.36) CYP11B2MKNK1MKNK2CYP11B1PIK3CG
SCHEMBL314909 0.87 MKNK1 (0.36) CYP11B2MKNK1MKNK2CYP11B1PIK3CG
SCHEMBL2409364 0.87 PRMT5 (0.35) FTOCYP1A2
SCHEMBL2409361 0.87 PRMT5 (0.35) FTOCYP1A2
SCHEMBL2142952 0.87 MAP4K4 (0.42) CYP11B2MKNK1MKNK2CYP11B1PIK3CG

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