SCHEMBL31443219

SCHEMBL31443219

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAAA Q02083 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 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
Propene SCHEMBL29115889 0.86 TSHR (0.55) TSHRTDP1ALDH1A1L3MBTL1NAAA
SCHEMBL31443221 0.85 TDP1 (0.51) TSHRTDP1ALDH1A1L3MBTL1NAAA
SCHEMBL10915702 0.85 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL124736 0.84
SCHEMBL28243943 0.82 TDP1 (0.38) TSHRTDP1ALDH1A1NAAA
Hydrochloric Acid SCHEMBL27501013 0.82 TSHR (0.46) TSHRTDP1ALDH1A1L3MBTL1NAAA
SCHEMBL15133 0.82
Ethyl Propionate SCHEMBL31443212 0.80 GAA (0.46) TSHRALDH1A1NAAANPSR1GAA
Bicarbonate SCHEMBL28755593 0.80 TSHR (0.45) TSHRTDP1ALDH1A1L3MBTL1NAAA
Acetone SCHEMBL3998256 0.80 TSHR (0.50) TSHRTDP1ALDH1A1L3MBTL1NAAA

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-119591771-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2025-03-11 CN claimed