SCHEMBL29950819

SCHEMBL29950819

CCCCNC(=O)C(C)Oc1ccccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
PAX8 Q06710 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NAAA Q02083 2/20 0.42
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NR5A1 Q13285 1/20 0.40

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
SCHEMBL2561071 0.96 NAAA (0.47) GAALMNAMAPTKMT2AMEN1
SCHEMBL2558613 0.92 PKM (0.46) GAALMNAMAPTKMT2AMEN1
SCHEMBL2555096 0.88 GAA (0.51) GAALMNAMAPTKMT2AMEN1
SCHEMBL29952275 0.87 SMN1; SMN2 (0.52) GAALMNAKMT2APKMHTT
SCHEMBL15330180 0.86 MAPT (0.50) GAALMNAMAPTKMT2AMEN1
SCHEMBL2557903 0.85 HPGD (0.56) GAALMNAMAPTKMT2AMEN1
SCHEMBL29955443 0.83 SMN1; SMN2 (0.56) GAALMNAMAPTKMT2AMEN1
SCHEMBL15331066 0.83 PTGDR2 (0.43) GAALMNAMAPTKMT2AMEN1
SCHEMBL2555960 0.82 POLB (0.44) GAALMNAL3MBTL1TSHRHTT
SCHEMBL29953502 0.81 MEN1 (0.47) GAALMNAMAPTKMT2AMEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed