SCHEMBL29158583

SCHEMBL29158583

O=C/C=C/Cc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.42
SRD5A2 P31213 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
NR4A1 P22736 1/20 0.41
APEX1 P27695 1/20 0.41
APOBEC3A P31941 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL29158586 1.00 ALDH1A1 (0.48) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL1604682 0.81 ALDH1A1 (0.58) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL5020596 0.80 MAOB (0.62) ALDH1A1TSHRTP53SRD5A2POLB
SCHEMBL9506114 0.80 MAOB (0.62) ALDH1A1TSHRTP53SRD5A2POLB
SCHEMBL5576096 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL5805280 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL5576686 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL2852457 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL28976969 0.78 ALDH1A1 (0.55) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL8917564 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTP53KMT2ASRD5A2

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-117447334-A Method for efficiently synthesizing alpha-amino acetal 南京工业大学 2024-01-26 CN disclosed