SCHEMBL3400069

SCHEMBL3400069

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3c(C)noc3C)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.37
CREBBP Q92793 7/20 0.37
BRD2 P25440 6/20 0.37
FFAR1 O14842 2/20 0.35
FFAR2 O15552 3/20 0.33
ATAD2 Q6PL18 1/20 0.32
ERN1 O75460 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL314839 1.00 BRD4 (0.37) BRD4CREBBPBRD2FFAR1FFAR2
SCHEMBL2415822 0.87 BRD4 (0.46) BRD4CREBBPBRD2FFAR1FFAR2
SCHEMBL2415825 0.87 BRD4 (0.46) BRD4CREBBPBRD2FFAR1FFAR2
SCHEMBL313969 0.84 CYP11B2 (0.31)
SCHEMBL3399026 0.84 CYP11B2 (0.31)
SCHEMBL315935 0.83 FFAR1 (0.33) BRD4CREBBPBRD2FFAR1
SCHEMBL315936 0.83 FFAR1 (0.33) BRD4CREBBPBRD2FFAR1
SCHEMBL315640 0.83 PIK3CG (0.32)
SCHEMBL3400268 0.83 PIK3CG (0.32)
SCHEMBL315701 0.83 MKNK1 (0.38)

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