SCHEMBL28042258

SCHEMBL28042258

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NAAA Q02083 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
ESR1 P03372 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL11521011 0.97 ALDH1A1 (0.38) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL28965553 0.80
SCHEMBL27698811 0.78 NAAA (0.38) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL27586828 0.78 NAAA (0.38) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL27719316 0.76 NAAA (0.37) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL21325950 0.76
SCHEMBL9276 0.70
SCHEMBL776903 0.69
SCHEMBL48527 0.67 ALDH1A1 (0.47) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL2128603 0.67 ALDH1A1 (0.56) ALDH1A1NAAATDP1FFAR3MGAM

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-105105154-A Preparation method of dry braised venison ZHU HUIBIN 2015-12-02 CN disclosed