SCHEMBL23398796

SCHEMBL23398796

CCc1c(C(C)C)[nH]n(-c2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.44
MPI P34949 1/20 0.44
MT-CO1 P00395 2/20 0.43
MT-CO2 P00403 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KAT8 Q9H7Z6 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23403698 0.88 GAA (0.50) GAAL3MBTL1TSHRMPIMT-CO1
SCHEMBL23401447 0.86 SMN1; SMN2 (0.48) GAAL3MBTL1ALOX15MEN1KMT2A
SCHEMBL23402333 0.86 GAA (0.48) GAAL3MBTL1TSHRMPIMT-CO1
SCHEMBL23399193 0.85 GAA (0.51) GAAL3MBTL1TSHRMPIMT-CO1
SCHEMBL28470292 0.85 KAT8 (0.53) GAAL3MBTL1TSHRMPIMT-CO1
SCHEMBL23401947 0.84 MAPT (0.45) GAAL3MBTL1MT-CO1MT-CO2ALOX15
SCHEMBL23401427 0.81 MAPT (0.38) GAAL3MBTL1HTTMEN1KMT2A
SCHEMBL23400026 0.79 MT-CO1 (0.47) GAAL3MBTL1TSHRMPIMT-CO1
SCHEMBL23400621 0.79 MPI (0.51) GAAL3MBTL1TSHRMPIALOX15
SCHEMBL23401960 0.79 MT-CO1 (0.59) GAAL3MBTL1TSHRMPIMT-CO1

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