SCHEMBL3399328

SCHEMBL3399328

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3ccc(C)nc3)nc2)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
PDE10A Q9Y233 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
DGAT1 O75907 1/20 0.31
MAOB P27338 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
NAAA Q02083 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM4 P08173 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL314941 1.00 CHRNA7 (0.35) CHRNA7FFAR4PDE10AGRIN1GRIN2B
SCHEMBL1972811 0.93 FFAR4 (0.36) CHRNA7FFAR4GRIN1GRIN2BKMT2A
SCHEMBL1972812 0.93 FFAR4 (0.36) CHRNA7FFAR4GRIN1GRIN2BKMT2A
SCHEMBL2142885 0.91 CHRNA7 (0.44) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL5283290 0.91 CHRNA7 (0.44) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL3398167 0.89 NAAA (0.33) CHRNA7PDE10ARXFP1DGAT1CYP4F2
SCHEMBL315023 0.89 NAAA (0.33) CHRNA7PDE10ARXFP1DGAT1CYP4F2
SCHEMBL315460 0.89 CHRNA7 (0.32) CHRNA7GRIN1GRIN2BRXFP1CYP4F2
SCHEMBL3401000 0.89 CHRNA7 (0.32) CHRNA7GRIN1GRIN2BRXFP1CYP4F2
SCHEMBL5275422 0.89 RXFP1 (0.44) CHRNA7RXFP1NAAAKMT2APIK3CA

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