SCHEMBL5283290

SCHEMBL5283290

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccc(C)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
RXFP1 Q9HBX9 1/20 0.34
KDM1A O60341 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PTGER4 P35408 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
LMNA P02545 1/20 0.31
KIT P10721 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
SCHEMBL2142885 1.00 CHRNA7 (0.44) CHRNA7RXFP1KDM1ACA1CA2
SCHEMBL2138931 0.92 RXFP1 (0.44) CHRNA7RXFP1PTGER4LMNA
SCHEMBL5275422 0.92 RXFP1 (0.44) CHRNA7RXFP1PTGER4LMNA
SCHEMBL3399328 0.91 CHRNA7 (0.35) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL314941 0.91 CHRNA7 (0.35) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL315133 0.90 CHRNA7 (0.33) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL315134 0.90 CHRNA7 (0.33) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL2139532 0.89 KDM1A (0.37) CHRNA7RXFP1KDM1APTGER4CYP4F2
SCHEMBL314637 0.88 CHRNA7 (0.32) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL314638 0.88 CHRNA7 (0.32) CHRNA7RXFP1CYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 EP disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 WO disclosed