SCHEMBL1301908

SCHEMBL1301908

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
ALDH1A1 P00352 5/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 1/20 0.37
TRPA1 O75762 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL28739690 0.80 ALDH1A1 (0.42) EGLN1ALDH1A1CYP2D6MGAMGAA
SCHEMBL1088298 0.80 ALDH1A1 (0.42) EGLN1ALDH1A1CYP2D6SMN1; SMN2MGAM
SCHEMBL6676758 0.80 ALDH1A1 (0.42) EGLN1ALDH1A1CYP2D6SMN1; SMN2MGAM
SCHEMBL1878452 0.80 ALDH1A1 (0.42) EGLN1ALDH1A1CYP2D6MGAMGAA
SCHEMBL6674982 0.80 ALDH1A1 (0.42) EGLN1ALDH1A1CYP2D6SMN1; SMN2MGAM
SCHEMBL728691 0.78 EGLN1 (0.40) EGLN1ALDH1A1TSHR
Ethane SCHEMBL18036623 0.78 ALDH1A1 (0.40) EGLN1ALDH1A1CYP2D6MGAMGAA
SCHEMBL3648200 0.78 EGLN1 (0.41) EGLN1ALDH1A1CYP2D6SMN1; SMN2MGAM
SCHEMBL31491172 0.77 ALDH1A1 (0.42) EGLN1ALDH1A1CYP2D6SMN1; SMN2MGAM
SCHEMBL5067116 0.77 SLC22A6 (0.33) SMN1; SMN2MAPTALOX15

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