SCHEMBL29220321

SCHEMBL29220321

C=CCCCOC(=O)/C(C)=C(/C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.37
ABCC4 O15439 1/20 0.37
TSHR P16473 4/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 3/20 0.36
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL29220326 0.95 MAPT (0.40) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL29220317 0.93 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL29220325 0.87 TSHR (0.44) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL9246281 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL9246275 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTABCC4TSHR
Bicarbonate SCHEMBL27518086 0.80 TSHR (0.55) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL5248589 0.79 TSHR (0.58) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL9511570 0.78 TSHR (0.56) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL9514375 0.78 TSHR (0.61) ALDH1A1TSHRCYP3A4THRBHCAR2
SCHEMBL7772117 0.77 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRLMNASMN1; SMN2

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed