SCHEMBL23403237

SCHEMBL23403237

CCCCc1c(CC)[nH]n(-c2ccccc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
MT-CO1 P00395 2/20 0.53
MT-CO2 P00403 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ABCB1 P08183 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
MPI P34949 1/20 0.41
KAT8 Q9H7Z6 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
SCHEMBL23401598 0.93 GAA (0.55) GAAMT-CO1MT-CO2L3MBTL1TSHR
SCHEMBL23401611 0.91 GAA (0.54) GAAMT-CO1MT-CO2L3MBTL1TSHR
SCHEMBL23400368 0.91 MT-CO1 (0.55) GAAMT-CO1MT-CO2L3MBTL1TSHR
SCHEMBL23403517 0.88 SMN1; SMN2 (0.50) GAAMT-CO1MT-CO2L3MBTL1HTT
SCHEMBL23402659 0.88 GAA (0.50) GAAMT-CO1MT-CO2L3MBTL1TSHR
SCHEMBL23403148 0.88 GAA (0.50) GAAMT-CO1MT-CO2L3MBTL1TSHR
SCHEMBL23401647 0.86 ALKBH5 (0.42) GAAMT-CO1MT-CO2L3MBTL1HTT
SCHEMBL23402071 0.86 GAA (0.49) GAAMT-CO1MT-CO2L3MBTL1TSHR
SCHEMBL23401960 0.86 MT-CO1 (0.59) GAAMT-CO1MT-CO2L3MBTL1TSHR
SCHEMBL23401829 0.85 GAA (0.73) GAAMT-CO1MT-CO2L3MBTL1ALOX15

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed