SCHEMBL3398727

SCHEMBL3398727

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3ccncc3Cl)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
USP30 Q70CQ3 2/20 0.32
CTSA P10619 1/20 0.31
MCHR1 Q99705 1/20 0.30
CYP11B2 P19099 1/20 0.30
DPP4 P27487 1/20 0.30
FFAR1 O14842 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
SCHEMBL316221 1.00 ABL1 (0.34) ABL1CCNCCDK8SLC22A12USP30
SCHEMBL2412492 0.90 FFAR1 (0.36) ABL1CCNCCDK8CTSAFFAR1
SCHEMBL2412489 0.90 FFAR1 (0.36) ABL1CCNCCDK8CTSAFFAR1
SCHEMBL314154 0.90 ABL1 (0.35) ABL1CCNCCDK8SLC22A12FFAR1
SCHEMBL3395304 0.90 ABL1 (0.35) ABL1CCNCCDK8SLC22A12FFAR1
SCHEMBL2140964 0.88 CHRNB1 (0.33) CTSA
SCHEMBL2139910 0.88 CHRNB1 (0.33) CTSA
SCHEMBL3401266 0.88 ABL1 (0.35) ABL1SLC22A12CYP11B2
SCHEMBL314332 0.88 ABL1 (0.35) ABL1SLC22A12CYP11B2
SCHEMBL2138226 0.87 CYP11B2 (0.39) CTSACYP11B2

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