SCHEMBL3396035

SCHEMBL3396035

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KCNA5 P22460 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 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
SCHEMBL3396358 1.00 TSHR (0.33) TSHRSMN1; SMN2HCAR2ALDH1A1CA1
SCHEMBL3393668 0.89 MAPT (0.36) TSHRHCAR2ALDH1A1MAPK1LMNA
SCHEMBL3396326 0.89 MAPT (0.36) TSHRHCAR2ALDH1A1MAPK1LMNA
SCHEMBL16626888 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HCAR2ALDH1A1CA1CA2
SCHEMBL16626900 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HCAR2ALDH1A1CA1CA2
SCHEMBL3395509 0.85 MGAM (0.40) TSHRHCAR2ALDH1A1MGAMGAA
SCHEMBL3392959 0.85 MGAM (0.40) TSHRHCAR2ALDH1A1MGAMGAA
SCHEMBL3396195 0.85 MGAM (0.43) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL3397834 0.85 MGAM (0.43) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL3389649 0.82 SMN1; SMN2 (0.48) TSHRSMN1; SMN2CA1CA2MGAM

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