SCHEMBL1300581

SCHEMBL1300581

COC(=O)C(=O)CC(C)(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 2/20 0.47
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TGFBR1 P36897 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
SCHEMBL1300355 0.79 TET2 (0.44) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL6668200 0.77 TET2 (0.50) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL10056680 0.77 TET2 (0.60) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL126086 0.77 TET2 (0.60) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL8184932 0.77 TET2 (0.39) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL2582850 0.76 TET2 (0.41) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL10388973 0.71 DGAT1 (0.37) TET2ALDH1A1EGLN1
Pyruvate SCHEMBL1131244 0.71 TET2 (0.54) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL346880 0.71 HMGCR (0.60) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL29816178 0.71 HMGCR (0.60) TET2ALDH1A1TSHRHMGCRCHRM1

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 4 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
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed