SCHEMBL23399141

SCHEMBL23399141

Cc1cccc(-n2[nH]c(C(C)C)c(C)c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
NOD2 Q9HC29 2/20 0.49
TNF P01375 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NOD1 Q9Y239 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.47
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALOX5 P09917 3/20 0.40
NOX4 Q9NPH5 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 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
SCHEMBL23400621 0.84 MPI (0.51) MAPTTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL23401947 0.83 MAPT (0.45) MAPTNOD2TNFTDP1NOD1
SCHEMBL23400876 0.83 MAPT (0.45) MAPTNOD2TNFTDP1NOD1
SCHEMBL23403358 0.82 MAPT (0.44) MAPTMGLLMEN1KMT2ASMN1; SMN2
SCHEMBL23402453 0.82 MAPT (0.44) MAPTNOD2TNFTDP1NOD1
SCHEMBL23402760 0.82 MAPT (0.55) MAPTNOD2TNFTDP1NOD1
SCHEMBL23400481 0.81 MAPT (0.44) MAPTNOD2TNFTDP1NOD1
SCHEMBL23401754 0.81 MAPT (0.52) MAPTNOD2TNFTDP1NOD1
SCHEMBL13219706 0.80 ALKBH5 (0.50) MAPTNOD2TNFTDP1NOD1
SCHEMBL23402734 0.78 MAPT (0.46) MAPTNOD2TNFTDP1NOD1

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