SCHEMBL15324112

SCHEMBL15324112

CCOC(=O)C(CC)OC(=O)COC=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
GLO1 Q04760 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
AR P10275 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
SCHEMBL6380963 0.82 SMN1; SMN2 (0.33)
SCHEMBL29291217 0.81 MGAM (0.34) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1100419 0.77
SCHEMBL3367785 0.74 EPHX2 (0.32)
SCHEMBL11908661 0.74
SCHEMBL11837638 0.74 ALDH1A1 (0.39) MGAMGAASIMGAM2GLO1
SCHEMBL28783646 0.73 MGAM (0.41) MGAMGAASIMGAM2GLO1
SCHEMBL12516495 0.73 MMP1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8682690 0.72 CHRM1 (0.36)
SCHEMBL6685614 0.71 ALDH1A1 (0.50) MGAMGAASIMGAM2GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836833-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 Wayne State University (US) 2015-02-18 EP disclosed
WO-2013155456-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 WAYNE STATE UNIVERSITY (US) 2013-10-17 WO disclosed