SCHEMBL3392959

SCHEMBL3392959

CCCOC(=O)C(C(=O)OCCC)C(C)CC(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 8/20 0.38
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 2/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3395509 1.00 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3393668 0.92 MAPT (0.36) ALDH1A1TSHRTDP1CHRM1LMNA
SCHEMBL3396326 0.92 MAPT (0.36) ALDH1A1TSHRTDP1CHRM1LMNA
SCHEMBL3394619 0.88 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3389714 0.88 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3396358 0.85 TSHR (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3396035 0.85 TSHR (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6063931 0.82 HCAR2 (0.38) ALDH1A1TSHRTDP1HSD17B10CHRM1
SCHEMBL16626900 0.81 SMN1; SMN2 (0.41) ALDH1A1HSD17B10MAPTHCAR2MAPK1
SCHEMBL16626888 0.81 SMN1; SMN2 (0.41) ALDH1A1HSD17B10MAPTHCAR2MAPK1

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