SCHEMBL6880261

SCHEMBL6880261

CCOC(=O)COC(=O)c1cc(NC(=O)OCc2ccccc2)ccc1OCC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.49
MGLL Q99685 2/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP3 P42574 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL5864056 0.84 MGLL (0.52) MGLLMAPTTP53RAB9ANPC1
SCHEMBL5863964 0.82 P2RX3 (0.49) MGLLMAPTTP53RAB9ANPC1
SCHEMBL7145345 0.80 MGLL (0.49) MGLLMAPTTP53RAB9ANPC1
SCHEMBL7294828 0.79 MAPT (0.73) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL9865773 0.76 MEN1 (0.47) MGLLMAPTTP53RAB9ANPC1
SCHEMBL7677379 0.75 ABCB1 (0.47) ABCB1ALDH1A1CASP3HPGDCASP7
SCHEMBL7140575 0.75 MGLL (0.51) MGLLMAPTTP53RAB9ANPC1
SCHEMBL1727766 0.75 ENPP2 (0.64) MGLLMAPTTP53RAB9ANPC1
SCHEMBL2353279 0.74 POLB (0.58) MGLLMAPTTP53RAB9ANPC1
SCHEMBL13668397 0.74 TP53 (0.49) MGLLMAPTTP53RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123283-B1 THIAZOLE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-06 EP disclosed
US-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed