SCHEMBL1300355

SCHEMBL1300355

CCOC(=O)C(=O)CC(C)(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.44
EGLN1 Q9GZT9 1/20 0.37
ALDH1A1 P00352 5/20 0.36
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
FAAH O00519 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL2582850 0.85 TET2 (0.41) TET2ALDH1A1CYP2D6SMN1; SMN2LMNA
SCHEMBL6667305 0.79 TET2 (0.47) TET2ALDH1A1CYP2D6SMN1; SMN2LMNA
SCHEMBL1300581 0.79 TET2 (0.47) TET2EGLN1ALDH1A1CYP2D6TSHR
SCHEMBL4574752 0.79 ALDH1A1 (0.42) EGLN1ALDH1A1NPSR1GLO1CYP2D6
SCHEMBL16796410 0.73 CYP4F2 (0.47) ALDH1A1NPSR1GLO1FAAHLMNA
SCHEMBL126086 0.73 TET2 (0.60) TET2EGLN1ALDH1A1CYP2D6TSHR
SCHEMBL10056680 0.73 TET2 (0.60) TET2EGLN1ALDH1A1CYP2D6TSHR
SCHEMBL1634368 0.72 ALDH1A1 (0.40) EGLN1ALDH1A1NPSR1GLO1CYP2D6
Tert-Butanol SCHEMBL11267233 0.71 ALDH1A1 (0.48) EGLN1ALDH1A1NPSR1GLO1CYP2D6
SCHEMBL25746395 0.69 MGAM (0.39) EGLN1ALDH1A1NPSR1GLO1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed