SCHEMBL3397834

SCHEMBL3397834

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
ALDH1A1 P00352 7/20 0.38
ALOX15 P16050 3/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3396195 1.00 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3389714 0.88 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3394619 0.88 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3389649 0.85 SMN1; SMN2 (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL3389644 0.85 SMN1; SMN2 (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL3396035 0.85 TSHR (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3396358 0.85 TSHR (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3394662 0.84 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3397234 0.84 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5015120 0.79 GAA (0.46) MGAMGAASIMGAM2ALDH1A1

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