SCHEMBL23403148

SCHEMBL23403148

CCCCc1[nH]n(-c2ccccc2)c(=O)c1CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MT-CO1 P00395 1/20 0.44
MT-CO2 P00403 1/20 0.44
KDM4E B2RXH2 5/20 0.44
CYBB P04839 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MPI P34949 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 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 0.95 GAA (0.55) GAATSHRL3MBTL1MT-CO1MT-CO2
SCHEMBL23401611 0.94 GAA (0.54) GAATSHRL3MBTL1MT-CO1MT-CO2
SCHEMBL23400219 0.92 GAA (0.54) GAATSHRL3MBTL1MT-CO1MT-CO2
SCHEMBL23402659 0.91 GAA (0.50) GAATSHRL3MBTL1MT-CO1MT-CO2
SCHEMBL23403237 0.88 GAA (0.54) GAATSHRL3MBTL1MT-CO1MT-CO2
SCHEMBL23400368 0.88 MT-CO1 (0.55) GAATSHRL3MBTL1MT-CO1MT-CO2
SCHEMBL23401648 0.87 SMN1; SMN2 (0.49) GAATSHRL3MBTL1KDM4EMEN1
SCHEMBL23401118 0.86 GAA (0.46) GAATSHRL3MBTL1MT-CO1MT-CO2
SCHEMBL23401815 0.85 ALKBH5 (0.41) GAATSHRL3MBTL1KDM4EMEN1
SCHEMBL23400103 0.85 GAA (0.52) GAATSHRL3MBTL1MT-CO1MT-CO2

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