SCHEMBL3395501

SCHEMBL3395501

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL314799 1.00 PTGES (0.31) PTGESHCRTR1HCRTR2CYP4F2CYP4A11
SCHEMBL3399341 0.90 CHRNA7 (0.33) HCRTR1HCRTR2
SCHEMBL314889 0.90 CHRNA7 (0.33) HCRTR1HCRTR2
SCHEMBL316055 0.89 FYN (0.36) MKNK1MKNK2
SCHEMBL315697 0.89 ABL1 (0.33)
SCHEMBL3395494 0.89 ABL1 (0.33)
SCHEMBL3393927 0.89 FYN (0.36) MKNK1MKNK2
SCHEMBL314638 0.88 CHRNA7 (0.32) CYP4F2CYP4A11
SCHEMBL314637 0.88 CHRNA7 (0.32) CYP4F2CYP4A11
SCHEMBL315665 0.86 MKNK1 (0.33) MKNK1MKNK2

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