SCHEMBL3395311

SCHEMBL3395311

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3cccnc3Cl)nc2)SC[C@H]1OC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL315150 1.00 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL3396807 0.90 ABL1 (0.31) CYP4F2CYP4A11
SCHEMBL315648 0.90 ABL1 (0.31) CYP4F2CYP4A11
SCHEMBL3400972 0.89 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL314284 0.89 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL314900 0.88 PDE10A (0.37) CYP4F2CYP4A11
SCHEMBL315696 0.88 PDE10A (0.37) CYP4F2CYP4A11
SCHEMBL316422 0.85 CYP3A4 (0.38)
SCHEMBL316423 0.85 CYP3A4 (0.38)
SCHEMBL3398167 0.83 NAAA (0.33) CYP4F2CYP4A11

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