SCHEMBL28070168

SCHEMBL28070168

CCC(=O)OC(=O)CC.[CaH2].[MgH2]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 2/20 0.41
FFAR3 O14843 1/20 0.41
NAAA Q02083 1/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SOAT1 P35610 1/20 0.38
HIF1A Q16665 3/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
TSHR P16473 3/20 0.35
TRPA1 O75762 1/20 0.35
ESR1 P03372 2/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL27988653 0.96 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM
SCHEMBL7152292 0.96 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM
SCHEMBL9276 0.93
SCHEMBL29230050 0.89 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM
Propane SCHEMBL20562580 0.89 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM
SCHEMBL9350570 0.89 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM
SCHEMBL7631690 0.89 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM
SCHEMBL8337141 0.89 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM
SCHEMBL7167555 0.89 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM
SCHEMBL2128603 0.89 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3NAAAMGAM

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
CN-105746904-A Propionic acid acetate and additive 湖南晶天科技实业有限公司 2016-07-13 CN claimed
CN-105746904-A Propionic acid acetate and additive 湖南晶天科技实业有限公司 2016-07-13 CN disclosed