SCHEMBL28056183

SCHEMBL28056183

C=CCC(C)(O)C(=O)C(C)(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL30513348 0.82
SCHEMBL3256852 0.82
Bicarbonate SCHEMBL10761844 0.80 TET2 (0.45) TET2ALDH1A1TSHRMAPTHTT
SCHEMBL15114413 0.80 MAPT (0.35) TET2ALDH1A1TSHRMAPT
Acetic Acid SCHEMBL8947198 0.78 TET2 (0.43) TET2ALDH1A1TSHRMAPTHTT
SCHEMBL14961843 0.73
SCHEMBL17662046 0.73
SCHEMBL8668364 0.71
SCHEMBL293485 0.70
SCHEMBL528085 0.70 TSHR (0.42) TET2ALDH1A1TSHRMAPTHTT

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-105411870-A Alkyl lactyllactates and processes of making the same STEPAN CO 2016-03-23 CN disclosed