SCHEMBL23402139

SCHEMBL23402139

CCc1c(C)[nH]n(-c2ccc(C)cc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
GAA P10253 8/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KAT8 Q9H7Z6 2/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALOX15 P16050 2/20 0.48
POLB P06746 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
PARP14 Q460N5 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL5059274 0.87 GAA (0.50) SMN1; SMN2GAAL3MBTL1KAT8ALDH1A1
SCHEMBL23400874 0.85 SMN1; SMN2 (0.68) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL23402829 0.85 SMN1; SMN2 (0.51) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL23399905 0.82 SMN1; SMN2 (0.49) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL23399289 0.82 SMN1; SMN2 (0.59) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL23401817 0.81 SMN1; SMN2 (0.48) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL23401905 0.81 GAA (0.51) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL23401447 0.81 SMN1; SMN2 (0.48) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL23398599 0.81 SMN1; SMN2 (0.51) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL5178964 0.80 KAT8 (0.76) SMN1; SMN2GAAL3MBTL1CYP1A2CYP3A4

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