SCHEMBL4442944

SCHEMBL4442944

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
PGD P52209 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACLY P53396 3/20 0.41
CPT2 P23786 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 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
SCHEMBL10779877 0.89 PGD (0.39) SLC22A6PGDTDP1ACLYCPT2
SCHEMBL26056411 0.81 ACLY (0.46) SLC22A6TDP1ACLYCPT2SMN1; SMN2
SCHEMBL10520915 0.77 TDP1 (0.43) SLC22A6TDP1ACLYCPT2SMN1; SMN2
SCHEMBL10520908 0.77 SLC22A6 (0.46) SLC22A6PGDTDP1ACLYCPT2
SCHEMBL10773474 0.76 ACLY (0.59) SLC22A6PGDTDP1ACLYCPT2
SCHEMBL2422807 0.76 ACLY (0.46) SLC22A6TDP1ACLYCPT2SMN1; SMN2
SCHEMBL1921128 0.73 ALDH1A1 (0.40) PGDTDP1ALDH1A1CYP2C19
SCHEMBL10576547 0.72 SLC22A6 (0.46) SLC22A6PGDTDP1ACLYCPT2
SCHEMBL110956 0.72 SLC22A6 (0.52) SLC22A6PGDTDP1ACLYCPT2
SCHEMBL27811562 0.70 SLC22A6 (0.50) SLC22A6PGDTDP1ACLYCPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940364-B2 System, formulation and method for producing ceramic vacuum microspheres XUREX, INC. (US) 2015-01-27 US disclosed
US-20120231161-A1 System, Formulation and Method for Producing Ceramic Vacuum Microspheres XUREX NANO-COATINGS CORP. (US) 2012-09-13 US disclosed
US-20090162546-A1 System, formulation and method for producing ceramic vacuum microspheres XUREX, INC. 2009-06-25 US disclosed