SCHEMBL29020108

SCHEMBL29020108

CC(CC(=O)O)(CC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.94

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.94
CYP2C19 P33261 2/20 0.94
HIF1A Q16665 2/20 0.94
CYP2D6 P10635 1/20 0.94
HMGCR P04035 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
ADRA1A P35348 1/20 0.52
ALDH1A1 P00352 2/20 0.46
CPT2 P23786 2/20 0.44
KDM4E B2RXH2 1/20 0.44
FFAR1 O14842 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACLY P53396 3/20 0.37
TET2 Q6N021 1/20 0.36
FFAR3 O14843 1/20 0.35

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
SCHEMBL503703 0.97 TSHR (1.00) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL14867210 0.83 CYP2C19 (0.75) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL503894 0.83 CYP2C19 (0.75) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL9715119 0.83 CYP2C19 (0.75) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL11305042 0.81 CYP2C19 (0.71) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL27539128 0.79 HIF1A (0.68) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL2233437 0.79 CYP2C19 (0.68) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL17092536 0.78 TSHR (0.64) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL10012423 0.78 CYP2C19 (0.65) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL6863275 0.78 CYP2C19 (0.65) TSHRCYP2C19HIF1ACYP2D6HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283581-A Method for preparing glycerol carbonate by catalyzing glycerol and carbonate through bio-based carboxylate catalyst 四川大学 2023-06-23 CN disclosed