SCHEMBL23400697

SCHEMBL23400697

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO1 P00395 1/20 0.53
MT-CO2 P00403 1/20 0.53
GAA P10253 7/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 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
SCHEMBL23401808 0.92 MT-CO1 (0.55) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23403650 0.89 SMN1; SMN2 (0.48) MT-CO1MT-CO2GAAL3MBTL1HPGD
SCHEMBL23402948 0.87 MT-CO1 (0.42) MT-CO1MT-CO2GAAL3MBTL1MAPT
SCHEMBL23399066 0.85 MT-CO1 (0.57) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23400357 0.84 POLB (0.40) MT-CO1MT-CO2GAAL3MBTL1HPGD
SCHEMBL23401829 0.82 GAA (0.73) MT-CO1MT-CO2GAAL3MBTL1MAPT
SCHEMBL23399591 0.82 SMN1; SMN2 (0.49) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23399195 0.82 CYBB (0.57) GAAL3MBTL1TSHRMAPTALDH1A1
SCHEMBL23401598 0.81 GAA (0.55) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23403237 0.80 GAA (0.54) MT-CO1MT-CO2GAAL3MBTL1TSHR

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