SCHEMBL3392817

SCHEMBL3392817

CCOC(=O)C[C@@H](CC)C(C(=O)OC)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3392820 1.00 GAA (0.46) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3395527 0.88 SMN1; SMN2 (0.48) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3393465 0.88 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3393466 0.88 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3391894 0.88 SMN1; SMN2 (0.48) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3395546 0.85 GAA (0.43) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3392732 0.85 GAA (0.43) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3394073 0.85 MGAM (0.41) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3394079 0.85 MGAM (0.41) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL14492490 0.83 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154253-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE SUMITOMO CHEMICAL CO (JP) 2019-04-10 EP disclosed
US-9970043-B2 Process for producing optically active 2-alkyl-1,1,3-trialkoxycarbonylpropane GENENTECH, INC. (US) 2018-05-15 US disclosed
US-20170145468-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-20150218602-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE GENENTECH INC (US) 2015-08-06 US disclosed
US-8969051-B2 Process for producing optically active 2-alkyl-1,1,3-trialkoxycarbonylpropane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-03-03 US disclosed
US-20100240107-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
EP-2154253-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE Sumitomo Chemical Company, Limited (JP) 2010-02-17 EP disclosed