SCHEMBL2582850

SCHEMBL2582850

CCCOC(=O)C(=O)CC(C)(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.41
HCAR2 Q8TDS4 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CHRM1 P11229 2/20 0.31
HMGCR P04035 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
TSHR P16473 5/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
ESR1 P03372 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1300355 0.85 TET2 (0.44) TET2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL6671849 0.81 TET2 (0.44) TET2HCAR2LMNARAB9AALDH1A1
SCHEMBL1300581 0.76 TET2 (0.47) TET2ALDH1A1CHRM1HMGCRTBXA2R
SCHEMBL10056680 0.71 TET2 (0.60) TET2ALDH1A1CHRM1HMGCRTBXA2R
SCHEMBL126086 0.71 TET2 (0.60) TET2ALDH1A1CHRM1HMGCRTBXA2R
SCHEMBL3020479 0.71 HCAR2 (0.41) HCAR2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL16044867 0.71 HCAR2 (0.41) HCAR2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL16045838 0.71 GAA (0.43) HCAR2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL4897036 0.70 NAAA (0.46) TET2HCAR2ALDH1A1TSHRTDP1
SCHEMBL138475 0.70 HCAR2 (0.48) HCAR2GAASMN1; SMN2LMNAALDH1A1

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
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed