SCHEMBL3396326

SCHEMBL3396326

CCCOC(=O)C[C@@H](C)C(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 2/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL3393668 1.00 MAPT (0.36) MAPTNPSR1MAPK1L3MBTL1NAAA
SCHEMBL3395509 0.92 MGAM (0.40) MAPTNPSR1MAPK1L3MBTL1ALDH1A1
SCHEMBL3392959 0.92 MGAM (0.40) MAPTNPSR1MAPK1L3MBTL1ALDH1A1
SCHEMBL16626888 0.89 SMN1; SMN2 (0.41) MAPTNPSR1MAPK1L3MBTL1NAAA
SCHEMBL16626900 0.89 SMN1; SMN2 (0.41) MAPTNPSR1MAPK1L3MBTL1NAAA
SCHEMBL3396358 0.89 TSHR (0.33) MAPTMAPK1ALDH1A1HCAR2LMNA
SCHEMBL3396035 0.89 TSHR (0.33) MAPTMAPK1ALDH1A1HCAR2LMNA
SCHEMBL6063931 0.85 HCAR2 (0.38) MAPK1ALDH1A1HCAR2LMNAESR1
SCHEMBL17468965 0.83 NAAA (0.38) MAPTNPSR1MAPK1L3MBTL1NAAA
SCHEMBL9149871 0.82 NAAA (0.36) MAPTNPSR1MAPK1L3MBTL1NAAA

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