SCHEMBL23399600

SCHEMBL23399600

Cc1cccc(-n2[nH]c(-c3ccccc3)c(CC(C)C)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
TDP1 Q9NUW8 2/20 0.45
TNF P01375 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
GAA P10253 9/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
HTT P42858 2/20 0.43
ALKBH5 Q6P6C2 1/20 0.42
RAB9A P51151 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.41
CYBB P04839 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
ALKBH3 Q96Q83 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL23400937 0.94 MAPT (0.43) MAPTTDP1TNFNOD2NOD1
SCHEMBL23398436 0.93 GAA (0.44) MAPTTDP1TNFNOD2NOD1
SCHEMBL23399417 0.93 MAPT (0.42) MAPTTDP1TNFNOD2NOD1
SCHEMBL23398706 0.88 MEN1 (0.54) MAPTTDP1GAAKMT2AMEN1
SCHEMBL23398893 0.86 MAPT (0.46) MAPTTDP1TNFNOD2NOD1
SCHEMBL23402600 0.86 MEN1 (0.46) MAPTGAAKMT2AMEN1HTT
SCHEMBL23401207 0.86 GAA (0.46) MAPTGAAKMT2AMEN1HTT
SCHEMBL23403616 0.86 MAPT (0.51) MAPTTDP1TNFNOD2NOD1
SCHEMBL23399660 0.85 SMN1; SMN2 (0.41) MAPTTDP1TNFNOD2NOD1
SCHEMBL23398674 0.84 CYBB (0.58) MAPTTDP1TNFNOD2NOD1

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