SCHEMBL28075352

SCHEMBL28075352

CCC(=O)OC(=O)CC=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 3/20 0.33
NAAA Q02083 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR3 O14843 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 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
SCHEMBL3535214 0.89 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9276 0.80
SCHEMBL3535215 0.79
SCHEMBL462526 0.77 ALDH1A1 (0.40) ALDH1A1TDP1NAAAFFAR3TSHR
SCHEMBL28077771 0.77 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL7152292 0.76 ALDH1A1 (0.56) ALDH1A1TDP1NAAAFFAR3MGAM
SCHEMBL7631690 0.76 ALDH1A1 (0.56) ALDH1A1TDP1NAAAFFAR3MGAM
Propane SCHEMBL20562580 0.76 ALDH1A1 (0.56) ALDH1A1TDP1NAAAFFAR3MGAM
SCHEMBL8337141 0.76 ALDH1A1 (0.56) ALDH1A1TDP1NAAAFFAR3MGAM
SCHEMBL7167555 0.76 ALDH1A1 (0.56) ALDH1A1TDP1NAAAFFAR3MGAM

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-102802601-B Tyr-Arg dipeptides is preventing the cosmetic applications of skin sagging 赛德玛公司 2016-08-17 CN disclosed