SCHEMBL19686153

SCHEMBL19686153

C=C(C(=O)OCC)C(=O)C(C)(C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 3/20 0.42
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
FAAH O00519 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
SCHEMBL21886158 0.83 CYP4F2 (0.42) ALDH1A1MAPTTSHRCYP4F2CYP4A11
SCHEMBL19686005 0.81 ALDH1A1 (0.36) ALDH1A1MAPTTSHRCYP4F2CYP4A11
SCHEMBL16125671 0.81 ALDH1A1 (0.47) ALDH1A1MAPTTSHRCYP4F2CYP4A11
SCHEMBL19682908 0.79 CYP4F2 (0.36) ALDH1A1MAPTTSHRCYP4F2CYP4A11
SCHEMBL79588 0.78 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL28293945 0.78 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL13269637 0.78 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL25905083 0.77 THRB (0.36) ALDH1A1TSHRCYP4F2CYP4A11LMNA
SCHEMBL22758423 0.76 CYP4F2 (0.43) ALDH1A1MAPTTSHRCYP4F2CYP4A11
SCHEMBL28099320 0.75 ALDH1A1 (0.54) ALDH1A1MAPTTSHRNPSR1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196481-B2 Polymer and other compounds functionalized with terminal 1,1-disubstituted alkene monomer(s) and methods thereof SIRRUS, INC. (US) 2019-02-05 US disclosed
US-20170349700-A1 POLYMER AND OTHER COMPOUNDS FUNCTIONALIZED WITH TERMINAL 1,1-DISUBSTITUTED ALKENE MONOMER(S) AND METHODS THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2017-12-07 US disclosed