SCHEMBL9082116

SCHEMBL9082116

CCC(C)(O)C(=O)O.CCC(O)(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
FFAR3 O14843 1/20 0.30
SLC13A5 Q86YT5 2/20 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
SCHEMBL2327762 0.89
SCHEMBL581582 0.89
SCHEMBL4963143 0.89 TSHR (0.50) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL79613 0.89
SCHEMBL6755733 0.87
SCHEMBL5159386 0.87
SCHEMBL28436750 0.87 TSHR (0.47) TET2ALDH1A1TSHRHMGCRCHRM1
SCHEMBL4927191 0.87
Water SCHEMBL15756484 0.87
SCHEMBL28137399 0.87 TSHR (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512653-A Lactic acid containing hydroxycarboxylic acid for the preparation of polhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1996-04-30 US disclosed
US-5444143-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1995-08-22 US disclosed